PLX-51107

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H22N4O3
Molecular Weight	438.4779
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](N1C=C(C2=C1C=C(C=N2)C3=C(C)ON=C3C)C4=CC=C(C=C4)C(O)=O)C5=CC=CC=N5

InChI

InChIKey=AMSUHYUVOVCWTP-INIZCTEOSA-N

InChI=1S/C26H22N4O3/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22/h4-14,16H,1-3H3,(H,31,32)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H22N4O3
Molecular Weight	438.4779
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bromodomain-containing protein 4 13 Target ID: CHEMBL1163125 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29386193	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:21:32 UTC 2023` Edited by `admin` on `Sat Dec 16 11:21:32 UTC 2023`
Record UNII	W758F1L9ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PLX-51107

Code

English

BRD4 INHIBITOR PLX51107

Common Name

English

PLX 51107 [WHO-DD]

Common Name

English

BENZOIC ACID, 4-(6-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-((1S)-1-(2-PYRIDINYL)ETHYL)-1H-PYRROLO(3,2-B)PYRIDIN-3-YL)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C128462