Details of the Drug

General Information of Drug (ID: DMZV2PJ)

Drug Name

Acetophenazine

Synonyms

Acephenazinum; Acetophenazina; Acetophenazinum; Tindal; Acetophenazine [INN]; Acetophenazina [INN-Spanish]; Acetophenazinum [INN-Latin]; Ketone, 10-(3-(4-(2-hydroxyethyl-1-piperazinyl)propyl)phenothiazin-2-yl methyl; 1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone; 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone; 10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone; 2-acetyl-10-[3-[4-(b-hydroxyethyl)piperazinyl]propyl]phenothiazine

Indication

Disease Entry	ICD 11	Status	REF
Bipolar disorder	6A60	Approved	[1]
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Therapeutic Class

Antipsychotic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

411.6

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H29N3O2S
IUPAC Name: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO
InChI: InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
InChIKey: WNTYBHLDCKXEOT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 17676
ChEBI ID: CHEBI:2401
CAS Number: 2751-68-0
DrugBank ID: DB01063
TTD ID: D0L0MB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Bipolar disorder

ICD Disease Classification

6A60

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 012254.
2	Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.