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
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
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.