DAROLUTAMIDE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	EPIMERIC
Molecular Formula	C19H19ClN6O2
Molecular Weight	398.846
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DAROLUTAMIDE

Structure Search

SMILES

C[C@@H](CN1C=CC(=N1)C2=CC=C(C#N)C(Cl)=C2)NC(=O)C3=NNC(=C3)C(C)O

InChI

InChIKey=BLIJXOOIHRSQRB-PXYINDEMSA-N

InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H19ClN6O2
Molecular Weight	398.846
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:14:24 UTC 2023` Edited by `admin` on `Sat Dec 16 11:14:24 UTC 2023`
Record UNII	X05U0N2RCO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DAROLUTAMIDE

Official Name

English

NUBEQA

Brand Name

English

1H-PYRAZOLE-3-CARBOXAMIDE, N-((1S)-2-(3-(3-CHLORO-4-CYANOPHENYL)-1H-PYRAZOL-1-YL)-1-METHYLETHYL)-5-(1-HYDROXYETHYL)-

Systematic Name

English

DAROLUTAMIDE [JAN]

Common Name

English

N-((2S)-1-(3-(3-CHLORO-4-CYANOPHENYL)-1H-PYRAZOL- 1-YL)PROPAN-2-YL)-5-((1RS)-1-HYDROXYETHYL)-1H-PYRAZOLE- 3-CARBOXAMIDE

Systematic Name

English

ODM-201

Code

English

DAROLUTAMIDE [MI]

Common Name

English

DAROLUTAMIDE [ORANGE BOOK]

Common Name

English

darolutamide [INN]

Common Name

English

BAY1841788

Code

English

Darolutamide [WHO-DD]

Common Name

English

DAROLUTAMIDE [USAN]

Common Name

English

BAY-1841788

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C146993

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

Code System Code Type Description

MERCK INDEX

m12159

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

DRUG BANK

DB12941

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

INN

10227

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

EVMPD

SUB185326

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

DRUG CENTRAL

5334

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

DAILYMED

X05U0N2RCO

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

CAS

1598419-57-8

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

NO STRUCTURE GIVEN

ChEMBL

CHEMBL3545294

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

SMS_ID

100000171715

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

USAN

EF-122

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

FDA UNII

X05U0N2RCO

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

RXCUI

2180325

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

NCI_THESAURUS

C104748

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

CAS

1297538-32-9

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

WIKIPEDIA

ODM-201

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

PUBCHEM

67171867

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

EPA CompTox

DTXSID101027953

Created by admin on Sat Dec 16 11:14:24 UTC 2023 , Edited by admin on Sat Dec 16 11:14:24 UTC 2023

PRIMARY

Related Record Type Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Interaction Type:

MAJOR


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE


					X05U0N2RCO

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE


					JZ7JBT2MTT

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B10

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

Interaction Type:

MINOR


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


					EJC4C3UYXH

ANDROGEN RECEPTOR

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details

F97F739553

5-(1-Hydroxyethyl)-1H-pyrazole-3-carboxylic acid

METABOLITE -> PARENT

Amount:


					QC2DK9NC2B

DAROLUTAMIDE METABOLITE M-7A/B

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					B62K64WQ32

DAROLUTAMIDE METABOLITE M-32

METABOLITE -> PARENT

Amount:


					9EPS75QMTL

KETO-DAROLUTAMIDE

METABOLITE ACTIVE -> PARENT

Related Record Type Details


					X05U0N2RCO

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				MULTIPLE ORAL ADMINISTRATION

blood-to-plasma ratio	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC