Details of the Drug

General Information of Drug (ID: DMJS0F5)

Drug Name
PMID24900311C1a
Synonyms GTPL7799
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 365.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H19N3O4
IUPAC Name
1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-2-ylurea
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)NNC(=O)NC2=CC3=CC=CC=C3C=C2)OC
InChI
InChI=1S/C20H19N3O4/c1-26-17-10-15(11-18(12-17)27-2)19(24)22-23-20(25)21-16-8-7-13-5-3-4-6-14(13)9-16/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)
InChIKey
IFQNPGNCFXITTG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
86277840
TTD ID
D04ZMM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
G-protein-coupled receptor PGR3 (GPR139) TTOL9B0 GP139_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139. ACS Med Chem Lett. 2011 Feb 28;2(4):303-6.