Details of the Drug

General Information of Drug (ID: DMC68DF)

Drug Name
Pipotiazine
Synonyms
Pipotiazine; Pipothiazine; Pipotiazina; Pipotiazinum; 39860-99-6; Piportil; Pipotiazinum [INN-Latin]; Pipotiazina [INN-Spanish]; UNII-L903J9JPYV; L903J9JPYV; 10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide; Pipotiazine [INN:BAN]; Piportil depot; Piportil (TN); Pipotiazine (INN); EINECS 254-659-6; Pipotiazine; ; ; Piportil; AC1L1XY4; SCHEMBL123275; GTPL7557; CHEMBL398880; BDBM81798; DTXSID40192913; ZINC3813024; BCP23973; PDSP2_000525; PDSP1_000527; NSC_62867; AKOS030527554; DB01621; ACM39860996
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Approved [1]
Affected Organisms
Humans and other mammals
ATC Code
N05AC04: Pipotiazine
N05AC: Phenothiazines with piperidine structure
N05A: ANTIPSYCHOTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
N05AC04: Pipotiazine
N05AC: Phenothiazines with piperidine structure
N05A: ANTIPSYCHOTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 475.7
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H33N3O3S2
IUPAC Name
10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide
Canonical SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
InChI
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
Cross-matching ID
PubChem CID
62867
CAS Number
39860-99-6
UNII
L903J9JPYV
DrugBank ID
DB01621
TTD ID
D0Z6QG
INTEDE ID
DR1298
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [3]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7557).
2 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.
3 Polymorphism of human cytochrome P450 2D6 and its clinical significance: part II. Clin Pharmacokinet. 2009;48(12):761-804.