BMS-741672

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3UAA36FHF1

Structure
InChI Key PJTGSIKANITYOO-RCOXNQKVSA-N
Smile CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1
InChI
InChI=1S/C24H33F3N6O3S/c1-14(2)32(3)16-6-8-21(20(12-16)31-37(4,35)36)33-10-9-19(23(33)34)30-22-17-11-15(24(25,26)27)5-7-18(17)28-13-29-22/h5,7,11,13-14,16,19-21,31H,6,8-10,12H2,1-4H3,(H,28,29,30)/t16-,19+,20-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33F3N6O3S
Molecular Weight 542.63
AlogP 2.84
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 107.53
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C-C chemokine receptor type 2 antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 74
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 2 D009437 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4457723
FDA SRS 3UAA36FHF1
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