MK-0812

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P3LKY4ZL5O

Structure
InChI Key UNVWTBOGMHPKJM-CWKRKGSWSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297538
DrugBank DB11990
FDA SRS P3LKY4ZL5O
PubChem 71587773
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