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

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.