clemizole Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
672 442-52-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • clemizole
  • lergopenin
  • clemizole hydrochloride
  • clemizole HCl
  • Molecular weight: 325.84
  • Formula: C19H20ClN3
  • CLOGP: 4.28
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 21.06
  • ALOGS: -4.21
  • ROTB: 4

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:37956 histamine receptor blocker

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.86 Basic
pKa2 6.27 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Histamine H4 receptor GPCR Ki 6.40 PDSP
Heme oxygenase 2 Enzyme IC50 5.47 CHEMBL

External reference:

IDSource
D01705 KEGG_DRUG
1163-36-6 SECONDARY_CAS_RN
C0008931 UMLSCUI
CHEBI:52140 CHEBI
GX0 PDB_CHEM_ID
CHEMBL1407943 ChEMBL_ID
CHEMBL1256817 ChEMBL_ID
DB15932 DRUGBANK_ID
C084582 MESH_SUPPLEMENTAL_RECORD_UI
2782 PUBCHEM_CID
10285 IUPHAR_LIGAND_ID
826 INN_ID
T97CB3796L UNII
006929 NDDF
006930 NDDF
12821002 SNOMEDCT_US

Pharmaceutical products:

None