BX-912

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H23BrN8O
Molecular Weight	471.354
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

BrC1=CN=C(NC2=CC(NC(=O)N3CCCC3)=CC=C2)N=C1NCCC4=CN=CN4

InChI

InChIKey=DMMILYKXNCVKOJ-UHFFFAOYSA-N

InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)

HIDE SMILES / InChI

Molecular Formula	C20H23BrN8O
Molecular Weight	471.354
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
3-phosphoinositide-dependent protein kinase 1 4 Target ID: O15530 Gene ID: 5170.0 Gene Symbol: PDPK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15772071	Inhibitor 8297		26.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:07:45 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:45 GMT 2023`
Record UNII	Y7RG737FY6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BX-912

Code

English

1-PYRROLIDINECARBOXAMIDE, N-(3-((5-BROMO-4-((2-(1H-IMIDAZOL-5-YL)ETHYL)AMINO)-2-PYRIMIDINYL)AMINO)PHENYL)-

Systematic Name

English

N-(3-((5-BROMO-4-((2-(1H-IMIDAZOL-5-YL)ETHYL)AMINO)-2-PYRIMIDINYL)AMINO)PHENYL)-1-PYRROLIDINECARBOXAMIDE

Systematic Name

English

1-PYRROLIDINECARBOXAMIDE, N-(3-((5-BROMO-4-((2-(1H-IMIDAZOL-4-YL)ETHYL)AMINO)-2-PYRIMIDINYL)AMINO)PHENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Y7RG737FY6