BMS-741672

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Synonyms
Status
Molecule Category Free-form
UNII 3UAA36FHF1

Structure

InChI Key PJTGSIKANITYOO-RCOXNQKVSA-N
Smiles 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

Mechanism of Action Action Reference
C-C chemokine receptor type 2 antagonist 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
- 0.4-287 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-287 - - 74

Target Conservation

Protein: C-C chemokine receptor type 2
Description: C-C chemokine receptor type 2
Organism : Homo sapiens
P41597 ENSG00000121807

Cross References

Resources Reference
ChEMBL CHEMBL4457723
FDA SRS 3UAA36FHF1
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