Details of the Drug

General Information of Drug (ID: DM1MOG8)

Drug Name

NPY-1 antagonist

Indication

Disease Entry	ICD 11	Status	REF
Eating disorder	6B82	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

513.6

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C30H35N5O3
IUPAC Name: N-[[3-[[[amino-(oxolan-2-ylmethylcarbamoylamino)methylidene]amino]methyl]phenyl]methyl]-2,3-diphenylpropanamide
Canonical SMILES: C1CC(OC1)CNC(=O)NC(=NCC2=CC=CC(=C2)CNC(=O)C(CC3=CC=CC=C3)C4=CC=CC=C4)N
InChI: InChI=1S/C30H35N5O3/c31-29(35-30(37)34-21-26-15-8-16-38-26)33-20-24-12-7-11-23(17-24)19-32-28(36)27(25-13-5-2-6-14-25)18-22-9-3-1-4-10-22/h1-7,9-14,17,26-27H,8,15-16,18-21H2,(H,32,36)(H4,31,33,34,35,37)
InChIKey: BSGMHDGHMYUSDC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuropeptide Y receptor type 1 (NPY1R)	TTRK9JT	NPY1R_HUMAN	Antagonist	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Neuropeptide Y receptor antagonists. IDrugs. 2001 Aug;4(8):920-7.
2	Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36.