Details of the Drug

General Information of Drug (ID: DM4K3P9)

Drug Name
Terflavoxate
Synonyms ND-907; Rec-15-2053
Indication
Disease Entry ICD 11 Status REF
Urinary incontinence MF50.2 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 419.5
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H29NO4
IUPAC Name
(2-methyl-1-piperidin-1-ylpropan-2-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Canonical SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)(C)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO4/c1-18-22(28)20-13-10-14-21(24(20)30-23(18)19-11-6-4-7-12-19)25(29)31-26(2,3)17-27-15-8-5-9-16-27/h4,6-7,10-14H,5,8-9,15-17H2,1-3H3
InChIKey
VQTYZZPDAFGNCK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135750
CAS Number
86433-40-1
TTD ID
D07RUV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor (CHRM) TTOXS3C NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003221)
2 Effects of terflavoxate on stimulated contractions of urinary bladder in vitro. Arzneimittelforschung. 1993 Feb;43(2):122-8.