Details of the Drug

General Information of Drug (ID: DMY7Q3I)

Drug Name
JNJ-10229570
Synonyms JNJ-10229570-AAA; MC5R antagonist (topical, acne), Johnson & Johnson; Melanocortin-5 receptor antagonist (topical, acne), Johnson & Johnson
Indication
Disease Entry ICD 11 Status REF
Acne vulgaris ED80 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 389.5
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H19N3O2S
IUPAC Name
2,3-bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-imine
Canonical SMILES
COC1=CC=CC=C1C2=NC(=NC3=CC=CC=C3)SN2C4=CC=CC=C4OC
InChI
InChI=1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3
InChIKey
XTHRTBCPBWJYRO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10110895
CAS Number
524923-88-4
TTD ID
D0O6NA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanocortin receptor 5 (MC5R) TT6QAJ3 MC5R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01326780) A Study of a New Drug Treatment for Acne. U.S. National Institutes of Health.
2 A melanocortin receptor 1 and 5 antagonist inhibits sebaceous gland differentiation and the production of sebum-specific lipids. J Dermatol Sci. 2011 Jul;63(1):23-32.