BMS-813160

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40N8O2
Molecular Weight	484.6375
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@H](NC3=NC=NC4=CC(=NN34)C(C)(C)C)C2=O)NC(C)(C)C

InChI

InChIKey=CMVHFGNTABZQJU-HCXYKTFWSA-N

InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40N8O2
Molecular Weight	484.6375
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
C-C chemokine receptor type 2 17 Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936726	Antagonist 2778		6.2 nM [IC50]
C-C chemokine receptor type 5 19 Target ID: CHEMBL274 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936726	Antagonist 2778		3.6 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:07 GMT 2023` Edited by `admin` on `Sat Dec 16 08:28:07 GMT 2023`
Record UNII	83U7957287
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-813160

Code

English

ACETAMIDE, N-((1R,2S,5R)-5-((1,1-DIMETHYLETHYL)AMINO)-2-((3S)-3-((7-(1,1-DIMETHYLETHYL)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4-YL)AMINO)-2-OXO-1-PYRROLIDINYL)CYCLOHEXYL)-

Systematic Name

English

BMS 813160 [WHO-DD]

Common Name

English

N-((1R,2S,5R)-5-((1,1-DIMETHYLETHYL)AMINO)-2-((3S)-3-((7-(1,1-DIMETHYLETHYL)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4-YL)AMINO)-2-OXO-1-PYRROLIDINYL)CYCLOHEXYL)ACETAMIDE

Systematic Name

English

Code System Code Type Description

SMS_ID

300000019132