Details of the Drug

General Information of Drug (ID: DMI0GMB)

Drug Name

5-hydroxyindole

Synonyms

5-Hydroxyindole; 1H-Indol-5-ol; 1953-54-4; INDOL-5-OL; 5-Hydroxy-1H-indole; Hydroxy-5 indole; 5-Indolol; UNII-320UN7XZYN; Hydroxy-5-indole; Hydroxy-5 indole [French]; CCRIS 4422; 5-Hydroxyindole, 97%; EINECS 217-782-6; MFCD00005677; NSC 87503; BRN 0112349; 320UN7XZYN; CHEBI:89649; LMIQERWZRIFWNZ-UHFFFAOYSA-N; NSC-87503; 5-hydroxy-indole; Hydroxy-5 indole [French]; 5-hydroxylindole; 5-hydroxy-indol; 5-hydroxy indole; 3fuh; 5H1; zlchem 359; 5Hydroxy-1H-indole; PubChem7263; 1-H-indol-5-ol; 1H-indol-5-ol.; 4b3c; ACMC-1BQT3; WLN: T56 BMJ GQ

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

133.15

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C8H7NO
IUPAC Name: 1H-indol-5-ol
Canonical SMILES: C1=CC2=C(C=CN2)C=C1O
InChI: InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16054
ChEBI ID: CHEBI:89649
CAS Number: 1953-54-4
TTD ID: D00EJS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_HUMAN	Modulator (allosteric modulator)	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sulfotransferase 1A1 (SULT1A1)	OT0K7JIE	ST1A1_HUMAN	Biotransformations	[3]
Sulfotransferase 1A3 (SULT1A4)	OTHJ8WWV	ST1A3_HUMAN	Biotransformations	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
5-HT 3A receptor (HTR3A)	DTT	HTR3A	6.60E-01	1.08E-02	0.04

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2295).
2	The 5-HT3B subunit confers spontaneous channel opening and altered ligand properties of the 5-HT3 receptor. J Biol Chem. 2008 Mar 14;283(11):6826-31.
3	Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. Drug Metab Dispos. 2001 Mar;29(3):274-81.