SB-218078

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C24H15N3O3
Molecular Weight	393.3942
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SB-218078

Structure Search

SMILES

O=C1NC(=O)C2=C1C3=C4N(C5CCC(O5)N6C7=C(C=CC=C7)C2=C46)C8=C3C=CC=C8

InChI

InChIKey=OTPNDVKVEAIXTI-UHFFFAOYSA-N

InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)

HIDE SMILES / InChI

Molecular Formula	C24H15N3O3
Molecular Weight	393.3942
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase Chk1 20 Target ID: CHEMBL4630 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10676638\|https://www.ncbi.nlm.nih.gov/pubmed/18077363	Inhibitor 8297		15.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:39:27 UTC 2023` Edited by `admin` on `Sat Dec 16 11:39:27 UTC 2023`
Record UNII	S6U3J3UP11
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SB-218078

Common Name

English

9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-1,3(2H)-DIONE, 9,10,11,12-TETRAHYDRO-

Systematic Name

English

9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-1,3(2H)-DIONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

3387354

Created by admin on Sat Dec 16 11:39:27 UTC 2023 , Edited by admin on Sat Dec 16 11:39:27 UTC 2023

PRIMARY

CAS

135897-06-2

Created by admin on Sat Dec 16 11:39:27 UTC 2023 , Edited by admin on Sat Dec 16 11:39:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID10392024

Created by admin on Sat Dec 16 11:39:27 UTC 2023 , Edited by admin on Sat Dec 16 11:39:27 UTC 2023

PRIMARY

FDA UNII

S6U3J3UP11

Created by admin on Sat Dec 16 11:39:27 UTC 2023 , Edited by admin on Sat Dec 16 11:39:27 UTC 2023

PRIMARY

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