PIM-1 INHIBITOR 2

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H11ClN4O
Molecular Weight	322.748
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=CC=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(Cl)C=C4

InChI

InChIKey=AQVFETGXIRKVAQ-UHFFFAOYSA-N

InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)

HIDE SMILES / InChI

Molecular Formula	C17H11ClN4O
Molecular Weight	322.748
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
Serine/threonine-protein kinase PIM1 13 Target ID: CHEMBL2147 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18290603	Inhibitor 8504		91.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:43:57 GMT 2025` Edited by `admin` on `Wed Apr 02 06:43:57 GMT 2025`
Record UNII	QJ8ZMA6BSL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIM-1 INHIBITOR 2

Common Name

English

2-PYRIMIDINAMINE, 4-(3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL)-

Preferred Name

English

4-(3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL)-2-PYRIMIDINAMINE

Systematic Name

English

4-(3-(4-CHLOROPHENYL)-2,1-BENZOXAZOL-5-YL)PYRIMIDIN-2-AMINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

2765355

Created by admin on Wed Apr 02 06:43:57 GMT 2025 , Edited by admin on Wed Apr 02 06:43:57 GMT 2025

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FDA UNII

QJ8ZMA6BSL

Created by admin on Wed Apr 02 06:43:57 GMT 2025 , Edited by admin on Wed Apr 02 06:43:57 GMT 2025

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CAS

477845-12-8

Created by admin on Wed Apr 02 06:43:57 GMT 2025 , Edited by admin on Wed Apr 02 06:43:57 GMT 2025

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EPA CompTox

DTXSID30377550

Created by admin on Wed Apr 02 06:43:57 GMT 2025 , Edited by admin on Wed Apr 02 06:43:57 GMT 2025

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