Details of the Drug

General Information of Drug (ID: DM7C1AJ)

Drug Name

HT-2157

Synonyms

HT-2157; 303149-14-6; SNAP 37889; UNII-WW4KZW83BX; WW4KZW83BX; HT 2157; CHEMBL210288; SNAP-37889; 1-phenyl-3-[[3-(trifluoromethyl)phenyl]imino]-1h-indol-2-one; 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one; 1-Phenyl-3-((3-(trifluoromethyl)phenyl)imino)-1H-indol-2-one; SNAP37889; AC1LSUW9; UNII-J4DRJ9BFS1; UNII-EH5R4IAX6Q; J4DRJ9BFS1; EH5R4IAX6Q; Bionet1_002696; SCHEMBL916990; SCHEMBL8273294; GTPL6126; HMS576C18; MolPort-002-854-320; BDBM50187923; ZINC100301780; AKOS005078094; SNAP-37889, (E)-; CS-6094; HT-2157(SNAP37889)

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Phase 1/2	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

366.3

Topological Polar Surface Area (xlogp)

5.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H13F3N2O
IUPAC Name: 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
Canonical SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=NC4=CC=CC(=C4)C(F)(F)F)C2=O
InChI: InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H
InChIKey: TXCGMRVPXUBHAL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1471834
CAS Number: 303149-14-6
TTD ID: D04AHY

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	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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: 6126).
2	ClinicalTrials.gov (NCT01413932) Pharmacokinetics - Pharmacodynamic Study of HT-2157 in Healthy Subjects and in Patients With Major Depressive Disorder. U.S. National Institutes of Health.
3	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.
4	Galmic, a nonpeptide galanin receptor agonist, affects behaviors in seizure, pain, and forced-swim tests. Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10470-5.
5	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. (Target id: 245).
6	Galanin (2-11) binds to GalR3 in transfected cell lines: limitations for pharmacological definition of receptor subtypes. Neuropeptides. 2005 Jun;39(3):165-7.
7	GalR2-positive allosteric modulator exhibits anticonvulsant effects in animal models. Proc Natl Acad Sci U S A. 2010 Aug 24;107(34):15229-34.
8	3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists. J Med Chem. 2006 Jun 29;49(13):3757-8.
9	2,3-Dihydro-dithiin and -dithiepine-1,1,4,4-tetroxides: small molecule non-peptide antagonists of the human galanin hGAL-1 receptor. Bioorg Med Chem. 2000 Jun;8(6):1383-91.