Details of the Drug

General Information of Drug (ID: DM1SRQT)

Drug Name
Aceprometazine
Synonyms
Aceprometazina; Aceprometazinum; Acepromethazine; Aceprometazina [INN-Spanish]; Aceprometazine [INN:DCF]; Aceprometazinum [INN-Latin]; Mepronizine (TN); KETONE, 10-(2-(DIMETHYLAMINO)PROPYL)PHENOTHIAZIN-2-YL METHYL; Ethanone, 1-(10-(2-(dimethylamino)propyl)-10H-phenothiazin-2-yl)-(9CI); 1-(10-(2-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)ethanone; 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; 1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone; 10-(2-(Dimethylamino)propyl)phenothiazin-2-yl methyl ketone; 1664 CB
Indication
Disease Entry ICD 11 Status REF
Sleep-wake disorder 7A00-7B2Z Approved [1]
Therapeutic Class
Antihistamines
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.5
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption
The drug is rapidly absorbed following oral administration []
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C19H22N2OS
IUPAC Name
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
Canonical SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C
InChI
InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
InChIKey
XLOQNFNTQIRSOX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
26035
ChEBI ID
CHEBI:53770
CAS Number
13461-01-3
UNII
984N9YTM4Y
DrugBank ID
DB01615
TTD ID
D06EQP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Sleep-wake disorder
ICD Disease Classification 7A00-7B2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drug information of Aceprometazine, 2008. eduDrugs.
2 Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.