CEP-37440

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H38ClN7O3
Molecular Weight	580.121
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CEP-37440

Structure Search

SMILES

CNC(=O)C1=C(NC2=NC(NC3=CC=C4C[C@H](CCCC4=C3OC)N5CCN(CCO)CC5)=NC=C2Cl)C=CC=C1

InChI

InChIKey=BCSHRERPHLTPEE-NRFANRHFSA-N

InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H38ClN7O3
Molecular Weight	580.121
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:50:13 UTC 2023` Edited by `admin` on `Sat Dec 16 05:50:13 UTC 2023`
Record UNII	O3MNS8782H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CEP-37440

Common Name

English

BENZAMIDE, 2-((5-CHLORO-2-(((6S)-6,7,8,9-TETRAHYDRO-6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-1-METHOXY-5H-BENZOCYCLOHEPTEN-2-YL)AMINO)-4-PYRIMIDINYL)AMINO)-N-METHYL-

Systematic Name

English

ALK-FAK INHIBITOR CEP-37440

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

NCI_THESAURUS

C141136

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

Code System Code Type Description

CAS

1609103-92-5

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

NO STRUCTURE GIVEN

PUBCHEM

71721648

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

NCI_THESAURUS

C111685

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

CAS

1391712-60-9

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

DRUG BANK

DB13060

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID301025939

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

FDA UNII

O3MNS8782H

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545051

Created by admin on Sat Dec 16 05:50:13 UTC 2023 , Edited by admin on Sat Dec 16 05:50:13 UTC 2023

PRIMARY

Related Record Type Details


					51B004R24I

FOCAL ADHESION KINASE 1

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					4M56WLI1MN

ANAPLASTIC LYMPHOMA KINASE

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					2N1592JH39

CEP-37440 TRIHYDROCHLORIDE DIHYDRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					O3MNS8782H

CEP-37440

ACTIVE MOIETY