Details of the Drug

General Information of Drug (ID: DMS1AFL)

Drug Name

SNAP 398299

Synonyms

SNAP-398299; SNAP398299

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): 1

Molecular Weight (mw)

479.5

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C27H24F3N3O2
IUPAC Name: 1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
Canonical SMILES: C1CCN(C1)CCOC2=CC=CC(=C2)N3C4=CC=CC=C4C(=NC5=CC=CC(=C5)C(F)(F)F)C3=O
InChI: InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2
InChIKey: HXCJZIBJTFITNI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Galanin receptor (GAL-R)	TTOPAY7	GALR1_HUMAN ; GALR2_HUMAN ; GALR3_HUMAN	Antagonist	[2]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6125).
2	Anxiolytic- and antidepressant-like profiles of the galanin-3 receptor (Gal3) antagonists SNAP 37889 and SNAP 398299. Proc Natl Acad Sci U S A. 2005 Nov 29;102(48):17489-94.