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

General Information of Drug (ID: DR1298)
Drug Name
GTPL7557
Synonyms
Piportil; Piportil (TN); L903J9JPYV; Piportil depot; Pipothiazine; Pipotiazina; Pipotiazina [INN-Spanish]; Pipotiazine; Pipotiazine (INN); Pipotiazine (oxide); Pipotiazine [INN:BAN]; Pipotiazinum; Pipotiazinum [INN-Latin]; SCHEMBL123275; ZINC3813024; 10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide; 39860-99-6; AC1L1XY4; ACM39860996; BCP23973; BDBM81798; CHEMBL398880; DB01621; DTXSID40192913; EINECS 254-659-6; GTPL7557; NSC_62867; PDSP1_000527; PDSP2_000525; UNII-L903J9JPYV
Indication Schizophrenia [ICD11: 6A20] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 475.7 Topological Polar Surface Area 97.8
Heavy Atom Count 32 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
62867
PubChem SID
7980330 ; 8188335 ; 14883233 ; 43119931 ; 46508263 ; 47954430 ; 48029616 ; 50940277 ; 57314887 ; 85209682 ; 96025071 ; 103558550 ; 104326857 ; 126659489 ; 126671570 ; 131342372 ; 135019323 ; 135996719 ; 137005983 ; 160964857 ; 179150436 ; 198935938 ; 198994193 ; 223365893 ; 223669494 ; 226494392 ; 241069158
CAS Number
39860-99-6
TTD Drug ID
D0Z6QG
Formula
C24H33N3O3S2
Canonical SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
InChI
1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
InChIKey
JOMHSQGEWSNUKU-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
Pipotiazine sulfoxyde DM005745
101993669
Oxidation - Sulfoxidation 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006129 GTPL7557 Pipotiazine sulfoxyde Oxidation - Sulfoxidation CYP3A4 ... [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 Depot pipotiazine palmitate and undecylenate for schizophrenia. Cochrane Database Syst Rev. 2004 Oct 18;(4):CD001720.
2 Polymorphism of human cytochrome P450 2D6 and its clinical significance: part II. Clin Pharmacokinet. 2009;48(12):761-804.
3 Main contribution of the cytochrome P450 isoenzyme 1A2 (CYP1A2) to N-demethylation and 5-sulfoxidation of the phenothiazine neuroleptic chlorpromazine in human liver--A comparison with other phenothiazines. Biochem Pharmacol. 2010 Oct 15;80(8):1252-9.

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