Details of the Drug

General Information of Drug (ID: DMWCR1Z)

Drug Name
SU-740
Synonyms SU-840
Indication
Disease Entry ICD 11 Status REF
Stomach ulcer DA60.Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 422.5
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H30O5
IUPAC Name
2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
Canonical SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)OCC(=O)O)C
InChI
InChI=1S/C26H30O5/c1-18(2)14-15-30-21-11-12-22(24(16-21)31-17-25(28)29)23(27)13-8-19-6-9-20(10-7-19)26(3,4)5/h6-14,16H,15,17H2,1-5H3,(H,28,29)/b13-8+
InChIKey
ANQKJBMYDIXLBL-MDWZMJQESA-N
Cross-matching ID
PubChem CID
6442365
CAS Number
134336-72-4
TTD ID
D0R5ZJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M5 (CHRM5) TTH18TF ACM5_HUMAN 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 800004989)
2 SU-840, a novel synthetic flavonoid derivative of sophoradin, with potent gastroprotective and ulcer healing activity. Journal of physiology and pharmacology. 49:1 1998 Mar pg 83-98