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
• #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: CHEBI:51771
  CAS Number: 26093-31-2
  DrugBank ID: DB08168
  TTD ID: D0L5XK

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]

References

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