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

General Information of Drug (ID: DR2001)
Drug Name
Indan-1-ol
Synonyms
Indan-1-ol; 1-Indanol; Indanol; L-INDANOL; SCHEMBL1747186; YIAPLDFPUUJILH-UHFFFAOYSA-N; (-)-indanol; 1-Hydroxyhydrindene; 1-Hydroxyindan; 1-Hydroxyindane; 1-INDANOL; 1-Indanol, 98%; 1-Indanole; 1H-Inden-1-ol, 2,3-dihydro-; 1H-Inden-1-ol,3-dihydro-; 1H-Indenol, 2,3-dihydro-; 1H-Indenol,2,3-dihydro-; 2,3-Dihydro-1H-inden-1-ol; 36643-74-0; 4-06-00-03824 (Beilstein Handbook Reference); AC1L2L5X; AC1Q7AG7; ACMC-1ATT8; ACMC-20aphe; BRN 2042960; CHEBI:16697; CTK4H6942; EINECS 253-146-4; KS-00000MBA; MFCD00003797; NSC31258; SCHEMBL57132
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 134.17 Topological Polar Surface Area 20.2
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
22819
ChEBI ID
CHEBI:16697
CAS Number
6351-10-6
Formula
C9H10O
Canonical SMILES
C1CC2=CC=CC=C2C1O
InChI
1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
InChIKey
YIAPLDFPUUJILH-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
Unclear DM009999 N. A. Oxidation - Oxidationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007506 Indan-1-ol Unclear Oxidation - Oxidationn AKR1C3 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldo-keto reductase 1C3 (AKR1C3) DME0118 Homo sapiens
AK1C3_HUMAN
1.1.1.357
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Aldo-keto reductase 1C3 (AKR1C3) DME0118 Km = 0.048 microM
AK1C3_HUMAN
[2]
References
1 A Publication of Reliable Methods for the Preparation of Organic Compounds: alpha-HYDRINDONE
2 Expression and characterization of four recombinant human dihydrodiol dehydrogenase isoforms: oxidation of trans-7, 8-dihydroxy-7,8-dihydrobenzo[a]pyrene to the activated o-quinone metabolite benzo[a]pyrene-7,8-dione. Biochemistry. 1998 May 12;37(19):6781-90.

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