Details of the Drug

General Information of Drug (ID: DMZN3GP)

Drug Name
Hydroxytryptophol
Synonyms
SCHEMBL233744; 5-Hydroxytryptophol; 154-02-9; 1H-Indole-3-ethanol, 5-hydroxy-; 3-(2-Hydroxyethyl)-1H-indol-5-ol; 4-21-00-02181 (Beilstein Handbook Reference); Hydroxytryptophol; INDOLE-3-ETHANOL, 5-HYDROXY-; KQROHCSYOGBQGJ-UHFFFAOYSA-N; 5-HTOL; 5-Hydroxy Tryptophol; 5-Hydroxy-1H-indole-3-ethanol; 5-Hydroxyindole-3-ethanol; 5-hydroxy-indole-acetic acid; 5-hydroxyindoacetic acid; 5-hydroxyindolacetate; 5-hydroxyindole-acetic acid; 52MNE52QA1; AC1L1S8D; BRN 0143517; EINECS 205-820-4; NSC 84416; UNII-52MNE52QA1
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 177.2
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H11NO2
IUPAC Name
3-(2-hydroxyethyl)-1H-indol-5-ol
Canonical SMILES
C1=CC2=C(C=C1O)C(=CN2)CCO
InChI
KQROHCSYOGBQGJ-UHFFFAOYSA-N
InChIKey
1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2
Cross-matching ID
PubChem CID
9061
ChEBI ID
CHEBI:89825
CAS Number
154-02-9
INTEDE ID
DR1978

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 1A6 (UGT1A6)
Main DME 		DESD26P UD16_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Sulfotransferase 1A1 (SULT1A1) OT0K7JIE ST1A1_HUMAN Biotransformations [2]
Sulfotransferase 1A3 (SULT1A4) OTHJ8WWV ST1A3_HUMAN Biotransformations [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Evaluation of 5-hydroxytryptophol and other endogenous serotonin (5-hydroxytryptamine) analogs as substrates for UDP-glucuronosyltransferase 1A6. Drug Metab Dispos. 2004 Aug;32(8):862-9.
2 Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. Drug Metab Dispos. 2001 Mar;29(3):274-81.