DASATINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H26ClN7O2S.H2O
Molecular Weight	506.021
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DASATINIB

Structure Search

SMILES

O.CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO)CC4

InChI

InChIKey=XHXFZZNHDVTMLI-UHFFFAOYSA-N

InChI=1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2

HIDE SMILES / InChI

Molecular Formula	C22H26ClN7O2S
Molecular Weight	488.006
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:48 UTC 2023` Edited by `admin` on `Fri Dec 15 15:40:48 UTC 2023`
Record UNII	RBZ1571X5H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DASATINIB

Official Name

English

DASATINIB MONOHYDRATE

Common Name

English

BMS-354825 HYDRATE

Code

English

SPRYCEL

Brand Name

English

N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]thiazole-5-carboxamide hydrate

Systematic Name

English

DASATINIB HYDRATE

Common Name

English

DASATINIB [JAN]

Common Name

English

DASATINIB [ORANGE BOOK]

Common Name

English

DASATINIB [VANDF]

Common Name

English

DASATINIB [EMA EPAR]

Common Name

English

NSC-759877

Code

English

Dasatinib monohydrate [WHO-DD]

Common Name

English

DASATINIB [USAN]

Common Name

English

DASATINIB HYDRATE [JAN]

Common Name

English

BMS-354825-03

Code

English

5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-, MONOHYDRATE

Systematic Name

English

Classification Tree Code System Code

WHO-VATC

QL01XE06

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

809221

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

EMA ASSESSMENT REPORTS

SPRYCEL (AUTHORIZED: PRECURSOR CELL LYMPHOBLASTIC LEUKEMIA-LYMPHOMA)

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

NCI_THESAURUS

C155700

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

EU-Orphan Drug

EU/3/05/338

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

WHO-ATC

L01XE06

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

214605

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

775320

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

212405

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

750520

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

LIVERTOX

NBK548780

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

EMA ASSESSMENT REPORTS

SPRYCEL (AUTHORIZED: LEUKEMIA, MYELOGENOUS, CHRONIC, BCR-ABL POSITIVE)

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

FDA ORPHAN DRUG

750420

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

Code System Code Type Description

FDA UNII

RBZ1571X5H

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

SMS_ID

100000090154

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

DRUG BANK

DB01254

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

DAILYMED

RBZ1571X5H

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

WIKIPEDIA

DASATINIB

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

USAN

SS-39

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

CAS

863127-77-9

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

CHEBI

49375

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

CHEBI

70839

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

ChEMBL

CHEMBL1421

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

DRUG CENTRAL

785

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

LACTMED

Dasatinib

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

IUPHAR

5678

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

MESH

C488369

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

PUBCHEM

11540687

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID50235486

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

NDF-RT

N0000182141

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

Cytochrome P450 3A4 Inhibitors [MoA]

NCI_THESAURUS

C38713

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

NSC

759877

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

RXCUI

475342

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB23159

Created by admin on Fri Dec 15 15:40:48 UTC 2023 , Edited by admin on Fri Dec 15 15:40:48 UTC 2023

PRIMARY

Related Record Type Details


					OVI08ABI5H

MAST/STEM CELL GROWTH FACTOR RECEPTOR KIT

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR


					VN6AX4RHX4

DASATINIB (S)-PROPYLENE GLYCOLATE

SALT/SOLVATE -> PARENT

Amount:


					908KNZ02WL

ABELSON TYROSINE-PROTEIN KINASE 2

TARGET -> INHIBITOR


					1Y8BY3M6Y9

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR


					C1P36E2V4Q

EPHRIN TYPE-B RECEPTOR 2

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					7092WS88L7

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC

TARGET -> INHIBITOR


					76PXB9FHYD

BCR-ABL KINASE E255K MUTANT (IMATINIB RESISTANT)

TARGET -> INHIBITOR


					X78UG0A0RN

DASATINIB ANHYDROUS

ANHYDROUS->SOLVATE


					482M00274D

OCT-2

TRANSPORTER -> INHIBITOR


					QR5SGP5JMT

TYROSINE-PROTEIN KINASE YES

TARGET -> INHIBITOR


					S276B35HIP

EPHRIN TYPE-A RECEPTOR 8

TARGET -> INHIBITOR


					482M00274D

OCT-2

TRANSPORTER -> SUBSTRATE


					URP3G75J4S

MITOGEN-ACTIVATED PROTEIN KINASE 14

TARGET -> INHIBITOR


					4007E25Z4Z

OCT-3

TRANSPORTER -> SUBSTRATE


					GS7PY5505H

TYROSINE-PROTEIN KINASE ABL1

TARGET -> INHIBITOR


					ONY583280Z

OCT-1

TRANSPORTER -> SUBSTRATE


					13U1W2G8EZ

EPHRIN TYPE-A RECEPTOR 3

TARGET -> INHIBITOR

Amount:


					RK4TYG2QQ4

DASATINIB PROPYLENE GLYCOLATE

SALT/SOLVATE -> PARENT

Amount:


					OCL798DYG0

EPHRIN TYPE-A RECEPTOR 2

TARGET -> INHIBITOR


					R6DUQ1C64H

MITOGEN-ACTIVATED PROTEIN KINASE 11

TARGET -> INHIBITOR


					4007E25Z4Z

OCT-3

TRANSPORTER -> INHIBITOR


					66DDF797LP

OATP-8

TRANSPORTER -> SUBSTRATE


					X78UG0A0RN

DASATINIB ANHYDROUS

PARENT -> SALT/SOLVATE

Related Record Type Details


					X78UG0A0RN

DASATINIB ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC