Details of the Drug

General Information of Drug (ID: DM98OEQ)

• Drug Name: 5-hydroxy-1H-indole-3-acetic acid
• Synonyms: 5-Hydroxyindole-3-acetic acid; 54-16-0; 5-HIAA; 2-(5-hydroxy-1H-indol-3-yl)acetic acid; 5-Hydroxyindoleacetic acid; 5-Hydroxyheteroauxin; (5-Hydroxy-1H-indol-3-yl)acetic acid; 5-Oxyindoleacetic acid; 5-Hydroxy-IAA; 5-Hydroxyindolacetic acid; 5-Hydroxy-3-indoleacetic acid; 5-Hydroxyindol-3-ylacetic acid; Hydroxyindoleacetic acid; 5-Hydroxy-1H-indole-3-acetic acid; 5-Hydroxyindolylacetic acid; 1H-Indole-3-acetic acid, 5-hydroxy-; 1321-73-9; Indole-3-acetic acid, 5-hydroxy-; 5-Hydroxyindoleacetate; UNII-YHC763JY1P; NSC 90432

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); 191.18
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H9NO3
  IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid
  Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
  InChI: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
  InChIKey: DUUGKQCEGZLZNO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1826
  ChEBI ID: CHEBI:27823
  CAS Number: 54-16-0
  TTD ID: D02VPC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase I (TOP1)	TTGTQHC	TOP1_HUMAN	Binder	[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
DNA topoisomerase I (TOP1)	DTT	TOP1	6.65E-01	0.2	0.39

References

• [1] Comparison of responses of DNA topoisomerase I from Candida albicans and human cells to four new agents which stimulate topoisomerase-dependent DNA nicking. FEMS Microbiol Lett. 1996 May 1;138(2-3):105-11.