Details of the Drug

General Information of Drug (ID: DMKZVEQ)

Drug Name
SM-130,686
Synonyms SM 130686
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 469.9
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H23ClF3N3O3
IUPAC Name
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide
Canonical SMILES
CCN(CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC=CC=C3Cl)O)C(F)(F)F)C(=O)N
InChI
InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)
InChIKey
YSSPGXCFFITNCE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9890863
TTD ID
D02NZI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Growth hormone secretagogue receptor 1 (GHSR) TTWDC17 GHSR_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Growth hormone secretagogue receptor 1 (GHSR) DTT GHSR 4.56E-01 -0.14 -0.74
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 5866).
2 Oxindole derivatives as orally active potent growth hormone secretagogues. J Med Chem. 2001 Dec 20;44(26):4641-9.