MK-0812

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII P3LKY4ZL5O

Structure

InChI Key UNVWTBOGMHPKJM-CWKRKGSWSA-N
Smiles CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CN2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChI
InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H36F3N3O2
Molecular Weight 455.57
AlogP 4.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.62
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 2 antagonist ANTAGONIST PubMed

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 CHEMBL4297538
DrugBank DB11990
FDA SRS P3LKY4ZL5O
PubChem 71587773
CONTENTS