Details of the Drug

General Information of Drug (ID: DMWTVJH)

Drug Name
N-(4-Ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
Synonyms
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide; 2-Oxo-2H-chromene-3-carboxylic acid (4-ethyl-phenyl)-amide; AC1LF7IS; ChemDiv3_001051; AC1Q2TK3; 3-carboxamido coumarin, 13; Oprea1_789803; Oprea1_049912; CHEMBL469583; BDBM29163; MolPort-000-375-251; HMS1475P17; ZINC130255; STK421228; AKOS000533669; MCULE-8672204127; IDI1_020017; BAS 00837926; ST45140661; EU-0002704; N-(4-ethylphenyl)-2-oxochromene-3-carboxamide; SR-01000410412; N-(4-ethylphenyl)(2-oxochromen-3-yl)carboxamide; SR-01000410412-1
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): 0 Molecular Weight (mw) 293.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H15NO3
IUPAC Name
N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
Canonical SMILES
CCC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
InChIKey
CCRNXJJERVYHEO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
724200
ChEBI ID
CHEMBL469583
TTD ID
D0B1WD
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
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References

1 Synthesis, molecular modeling, and selective inhibitory activity against human monoamine oxidases of 3-carboxamido-7-substituted coumarins. J Med Chem. 2009 Apr 9;52(7):1935-42.