Details of the Drug

General Information of Drug (ID: DMZKS6Q)

Drug Name
CGS-7181
Synonyms 200345-93-3; CGS-7184; CGS-7590; CGS-7725
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): 1 Molecular Weight (mw) 406.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H17F3N2O4
IUPAC Name
ethyl 2-hydroxy-1-[(4-methylphenyl)carbamoyl]-6-(trifluoromethyl)indole-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N(C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C)O
InChI
InChI=1S/C20H17F3N2O4/c1-3-29-18(27)16-14-9-6-12(20(21,22)23)10-15(14)25(17(16)26)19(28)24-13-7-4-11(2)5-8-13/h4-10,26H,3H2,1-2H3,(H,24,28)
InChIKey
YMEXYIFTFLKKQK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
656759
ChEBI ID
CHEBI:34601
CAS Number
200345-93-3
TTD ID
D0XL9W

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Molecular mechanism of pharmacological activation of BK channels