CERALASERTIB

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N6O2S
Molecular Weight	412.509
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CERALASERTIB

Structure Search

SMILES

C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](C)(=N)=O)C4=CN=CC5=C4C=CN5

InChI

InChIKey=DTTJKLNXNZAVSM-JYCIKRDWSA-N

InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,21,23H,4-5,7-8,12H2,1-2H3/t13-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24N6O2S
Molecular Weight	412.509
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:09:40 UTC 2023` Edited by `admin` on `Sat Dec 16 14:09:40 UTC 2023`
Record UNII	85RE35306Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CERALASERTIB

Official Name

English

ATR KINASE INHIBITOR AZD6738

Common Name

English

4-[4-[1-[[S(R)]-S-Methylsulfonimidoyl]cyclopropyl]-6-[(3R)-3-methyl-4-morpholinyl]-2-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine

Systematic Name

English

AZD-6738

Common Name

English

CERALASERTIB [USAN]

Common Name

English

ceralasertib [INN]

Common Name

English

Ceralasertib [WHO-DD]

Common Name

English

1H-PYRROLO(2,3-B)PYRIDINE, 4-(4-(1-((S(R))-S-METHYLSULFONIMIDOYL)CYCLOPROPYL)-6-((3R)-3-METHYL-4-MORPHOLINYL)-2-PYRIMIDINYL)-

Systematic Name

English

AZD6738

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C155926

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

Code System Code Type Description

SMS_ID

100000175302

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

USAN

HI-87

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

FDA UNII

85RE35306Z

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

NCI_THESAURUS

C111993

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

DRUG BANK

DB14917

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545178

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

INN

10842

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

CAS

1352226-88-0

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

PUBCHEM

121596701

Created by admin on Sat Dec 16 14:09:41 UTC 2023 , Edited by admin on Sat Dec 16 14:09:41 UTC 2023

PRIMARY

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					HF3L2K2XZ4

(3R)-3-METHYL-4-(6-(1-METHYLSULFONYLCYCLOPROPYL)-2-(1H-PYRROLO(2,3-C)PYRIDIN-4-YL)PYRIMIDIN-4-YL)MORPHOLINE

METABOLITE -> PARENT

Related Record Type Details


					85RE35306Z

ACTIVE MOIETY

Comments:

Originator: AstraZeneca; Developer: AstraZeneca, Royal Marsden Hospital; Class: Antineoplastic, Morpholine, Pyrimidine, Small molecule; Mechanism of Action: ATR protein inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phases: Phase I/II for Gastric cancer, Non-small cell lung cancer, Solid tumours, Phase I for B cell lymphoma, Chronic lymphocytic leukaemia, Lymphoid leukaemia; Most Recent Events: 28 Dec 2015 Samsung Medical Center initiates a phase I trial in Solid tumours (Second-line therapy or greater, Combination therapy) in South Korea (NCT02630199), 18 Dec 2015 Samsung Medical Center plans a phase I trial in Cancer (Late-stage disease, Metastatic disease, Second-line therapy or greater, Combination therapy) in South Korea (NCT02630199), 01 Oct 2014 Phase-I/II clinical trials in Gastric cancer (Combination therapy, Late-stage disease) in United Kingdom (PO) (NCT02264678)