Details of the Drug

General Information of Drug (ID: DMC8O3Z)

Drug Name
7-AMINO-4-METHYL-CHROMEN-2-ONE
Synonyms
7-Amino-4-methylcoumarin; 26093-31-2; Coumarin 120; 7-Amino-4-methyl-2H-chromen-2-one; 4-Methyl-7-aminocoumarin; 2H-1-Benzopyran-2-one, 7-amino-4-methyl-; Coumarin, 7-amino-4-methyl-; 7-AMINO-4-METHYL-CHROMEN-2-ONE; UNII-OCY3JCT44X; CCRIS 4961; 7-amino-4-methylchromen-2-one; EINECS 247-454-8; NSC 45796; OCY3JCT44X; 7-amino-4-methyl-coumarin; MLS000057660; AMC; CHEBI:51771; GLNDAGDHSLMOKX-UHFFFAOYSA-N; NSC45796; MFCD00006868; GEO-02697; SMR000067752; AK-34405; 7-amino-4-methyl-2H-1-Benzopyran-2-one; A-6591; A1-00199; J-100007
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) 175.18
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H9NO2
IUPAC Name
7-amino-4-methylchromen-2-one
Canonical SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
InChIKey
GLNDAGDHSLMOKX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
92249
ChEBI ID
CHEMBL270672
CAS Number
26093-31-2
UNII
OCY3JCT44X
DrugBank ID
DB08168
TTD ID
D0L5XK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rotamase A (PPIA) TTL2ADK PPIA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.