SB-218078

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

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=C3C4=C(C=CC=C4)N5C6CCC(O6)N7C8=C(C=CC=C8)C(C7=C35)=C12

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 23 Target ID: CHEMBL4630 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10676638\|https://www.ncbi.nlm.nih.gov/pubmed/18077363	Inhibitor 8504		15.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:43:26 GMT 2025` Edited by `admin` on `Tue Apr 01 16:43:26 GMT 2025`
Record UNII	S6U3J3UP11
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SB-218078

Common 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

Preferred 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

Code System Code Type Description

PUBCHEM

3387354

Created by admin on Tue Apr 01 16:43:26 GMT 2025 , Edited by admin on Tue Apr 01 16:43:26 GMT 2025

PRIMARY

CAS

135897-06-2

Created by admin on Tue Apr 01 16:43:26 GMT 2025 , Edited by admin on Tue Apr 01 16:43:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID10392024

Created by admin on Tue Apr 01 16:43:26 GMT 2025 , Edited by admin on Tue Apr 01 16:43:26 GMT 2025

PRIMARY

FDA UNII

S6U3J3UP11

Created by admin on Tue Apr 01 16:43:26 GMT 2025 , Edited by admin on Tue Apr 01 16:43:26 GMT 2025

PRIMARY

Related Record Type Details


					8EJE45ZR0I

TYROSINE-PROTEIN KINASE RECEPTOR UFO

TARGET -> INHIBITOR


					KY25K9D5AA

INHIBITOR OF NUCLEAR FACTOR KAPPA-B KINASE SUBUNIT EPSILON

TARGET -> INHIBITOR


					YDL509611I

CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT GAMMA

TARGET -> INHIBITOR


					MDT6OZC3EE

DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 2

TARGET -> INHIBITOR


					3AZ1VUF0Q7

MYOSIN LIGHT CHAIN KINASE, SMOOTH MUSCLE

TARGET -> INHIBITOR


					843L3OYS7O

MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5

TARGET -> INHIBITOR


					08S4A2S6FT

TYROSINE-PROTEIN KINASE JAK1

TARGET -> INHIBITOR


					ORH3YB25JY

SERINE/THREONINE-PROTEIN KINASE N2

TARGET -> INHIBITOR


					V6HYU3TM3V

WEE1-LIKE PROTEIN KINASE

TARGET -> INHIBITOR


					66647LGP7Q

SERINE/THREONINE-PROTEIN KINASE D1

TARGET -> INHIBITOR


					5K47RF8GE8

MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 11

TARGET -> INHIBITOR


					9LLR266790

TYROSINE-PROTEIN KINASE JAK3

TARGET -> INHIBITOR


					727KOM8V4H

SERINE/THREONINE-PROTEIN KINASE 38

TARGET -> INHIBITOR


					HQ6Z0L08Y3

RIBOSOMAL PROTEIN S6 KINASE ALPHA-1

TARGET -> INHIBITOR


					EL8FEW3TUM

MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE

TARGET -> INHIBITOR


					6P6Y82PIL1

LEUKOCYTE TYROSINE KINASE RECEPTOR

TARGET -> INHIBITOR


					GL209F9TZS

TYROSINE-PROTEIN KINASE JAK2

TARGET -> INHIBITOR