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]
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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

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]

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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