Details of the Drug

General Information of Drug (ID: DM3URJG)

• Drug Name: 2,3-Dihydro-1H-indol-5-ol
• Synonyms: Indolin-5-ol; 172078-33-0; 2,3-dihydro-1H-indol-5-ol; 2,3-Dihydroindol-5-ol; 1H-Indol-5-ol,2,3-dihydro-; CHEMBL19331; AK-60844; 5-Indolinol; 5-hydroxyindoline; SCHEMBL59263; 2,3-Dihydro-1H-indole-5-ol; 2,3-dihydro-1 H-indol-5-ol; CTK4D4118; DTXSID40434426; MolPort-000-003-182; MPCXQPXCYDDJSR-UHFFFAOYSA-N; 1H-Indol-5-ol, 2,3-dihydro-; 5-hydroxy-2,3-dihydro-1H-indole; KS-00000ML8; ZINC13462664; FCH845722; 8845AA; BDBM50291681; ANW-58857; AKOS006279674; CS-W007244; CHM0007709; AJ-63836; SC-26235; 1H-INDOL-5-OL,2,3-DIHYDRO-,; KB-12380

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); 135.16
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H9NO
  IUPAC Name: 2,3-dihydro-1H-indol-5-ol
  Canonical SMILES: C1CNC2=C1C=C(C=C2)O
  InChI: InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
  InChIKey: MPCXQPXCYDDJSR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10034684
  CAS Number: 172078-33-0
  TTD ID: D05XNR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_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
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

References

• [1] D4 dopamine receptor-selective compounds from the Chinese plant Phoebe chekiangensis, Bioorg. Med. Chem. Lett. 7(9):1207-1212 (1997).