Details of the Drug

General Information of Drug (ID: DM25N8B)

Drug Name

GI-264879A

Synonyms

gi264879a

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Preclinical	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

743.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

15

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C41H44F3N5O5
IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-(3,3-dinaphthalen-1-ylpropanoylamino)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pentanamide;2,2,2-trifluoroacetic acid
Canonical SMILES: COC[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CC(C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C39H43N5O3.C2HF3O2/c1-47-26-30(24-27-12-3-2-4-13-27)43-38(46)36(22-11-23-42-39(40)41)44-37(45)25-35(33-20-9-16-28-14-5-7-18-31(28)33)34-21-10-17-29-15-6-8-19-32(29)34;3-2(4,5)1(6)7/h2-10,12-21,30,35-36H,11,22-26H2,1H3,(H,43,46)(H,44,45)(H4,40,41,42);(H,6,7)/t30-,36+;/m0./s1
InChIKey: NZGALICACGXBQM-HOBHVFGFSA-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	[1]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.