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

General Information of Drug (ID: DR3077)
Drug Name
Clinprost
Synonyms Arteon; Isocarbacyclin methyl ester; TEI-9090; TTC-909; Clinprost (liposomal), Taisho; Clinprost (liposomal), Teijin
Indication Asthma [ICD11: CA23] Discontinued in Preregistration [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 364.5 Topological Polar Surface Area 66.8
Heavy Atom Count 26 Rotatable Bond Count 12
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6436040
CAS Number
88931-51-5
TTD Drug ID
D0X8DU
Formula
C22H36O4
Canonical SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)OC)O)O
InChI
InChI=1S/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h11-13,17-21,23-24H,3-10,14-15H2,1-2H3/b12-11+/t17-,18-,19+,20-,21+/m0/s1
InChIKey
QIGRQPVOWVHYBT-KABTVRTISA-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
Isocarbacyclin DM015567
9928377
Hydrolysis - Hydrolysis 1 [3] , [4] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009466 Clinprost Isocarbacyclin Hydrolysis - Hydrolysis CarbE ... [3], [4], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
arylesterase (ArE) DMEN794 Homo sapiens Not Available Not Available [2]
Butyrylcholine esterase (BCHE) DME0069 Homo sapiens
CHLE_HUMAN
3.1.1.8
[2]
carboxylesterase (CarbE) DMEN793 Homo sapiens Not Available Not Available [2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003132)
2 Species differences in hydrolysis of isocarbacyclin methyl ester (TEI-9090) by blood esterases
3 Blood-brain-barrier transport of lipid microspheres containing clinprost, a prostaglandin I2 analogue
4 Binding affinities of isocarbacyclin methyl ester and its free acid to prostanoid receptors

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