Details of the Drug

General Information of Drug (ID: DMNV1P3)

• Drug Name: 3-Hydroxy-benzamide
• Synonyms: 3-hydroxybenzamide; 618-49-5; benzamide, 3-hydroxy-; 3-Hydroxy-benzamide; CHEMBL419424; 3-Hydroxy benzamide; NSC379289; 3-hydroxybenzenecarboxamide; AC1Q4ZB3; AC1L7W2U; ACMC-1B71B; Oprea1_435073; SCHEMBL161861; 3-Hydroxybenzamide, AldrichCPR; CTK2F7291; DTXSID90321635; NGMMGKYJUWYIIG-UHFFFAOYSA-N; MolPort-001-791-593; ZINC1590754; KM0548; BDBM50068769; 9282AB; ANW-33964; 3-HYDROXY-BENZOIC ACID,AMIDE; SBB079277; AKOS000207073; VZ26952; NSC-379289; MB00281; MCULE-9599926365; NCGC00323509-01; KB-32185; CJ-25437; AJ-27681; CJ-05592; SC-47787

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); 137.14
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H7NO2
  IUPAC Name: 3-hydroxybenzamide
  Canonical SMILES: C1=CC(=CC(=C1)O)C(=O)N
  InChI: InChI=1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
  InChIKey: NGMMGKYJUWYIIG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 342403
  CAS Number: 618-49-5
  TTD ID: D05ZTI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[1]

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
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

References

• [1] Resistance-modifying agents. 5. Synthesis and biological properties of quinazolinone inhibitors of the DNA repair enzyme poly(ADP-ribose) polymeras... J Med Chem. 1998 Dec 17;41(26):5247-56.