Details of the Drug

General Information of Drug (ID: DMKITQN)

Drug Name
BM-13677
Synonyms BM-13677; BM 13677; 129393-59-5; BM 13,677; 2-((3-Phenylpropoxy)imino)butanoic acid; Butanoic acid, 2-((3-phenylpropoxy)imino)-
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 235.28
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H17NO3
IUPAC Name
(2Z)-2-(3-phenylpropoxyimino)butanoic acid
Canonical SMILES
CC/C(=N/OCCCC1=CC=CC=C1)/C(=O)O
InChI
InChI=1S/C13H17NO3/c1-2-12(13(15)16)14-17-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,16)/b14-12-
InChIKey
TVHDNHNLJMQXMI-OWBHPGMISA-N
Cross-matching ID
PubChem CID
5486935
TTD ID
D0W2DV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Enzyme unspecific (Enz) TT3C1VN 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 800004142)
2 Progress in medicinal chemistry, 1994. Page(448).