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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.