Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1978)
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
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 177.2 Topological Polar Surface Area 56.2
Heavy Atom Count 13 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
9061
ChEBI ID
CHEBI:89825
CAS Number
154-02-9
Formula
C10H11NO2
Canonical SMILES
C1=CC2=C(C=C1O)C(=CN2)CCO
InChI
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
InChIKey
KQROHCSYOGBQGJ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
5-Hydroxytryptophol glucuronide DM006543
53481648
Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007053 Hydroxytryptophol 5-Hydroxytryptophol glucuronide Conjugation - Glucuronidation UGT1A6 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Km = 0.135 microM
UD16_HUMAN
[2]
References
1 Tryptophol and derivatives: natural occurrence and applications to the synthesis of bioactive compounds. Nat Prod Rep. 2019 Mar 20;36(3):490-530.
2 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.