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

Stem definition	Drug id	CAS RN
	672	442-52-4

Description:

Molecule

Description

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:

Property	Value	Reference
S (Water solubility)	6.52 mg/mL	Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Bocci G, Oprea TI, Benet LZ

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
CHEBI has role	CHEBI:37956	antihistamines

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (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:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Histamine H4 receptor	GPCR	Q9H3N8	HRH4_HUMAN		Ki	6.40		PDSP
Short transient receptor potential channel 4	Ion channel	Q9UBN4	TRPC4_HUMAN	BLOCKER	IC50	5.19		IUPHAR
Short transient receptor potential channel 5	Ion channel	Q9UL62	TRPC5_HUMAN	BLOCKER	IC50	5.96		IUPHAR
Short transient receptor potential channel 3	Ion channel	Q13507	TRPC3_HUMAN	BLOCKER	IC50	5.04		IUPHAR
Short transient receptor potential channel 6	Ion channel	Q9Y210	TRPC6_HUMAN	BLOCKER	IC50	5.89		IUPHAR
Heme oxygenase 2	Enzyme		HMOX2_RAT		IC50	5.47		CHEMBL
Short transient receptor potential channel 4	Ion channel		TRPC4_MOUSE		IC50	5.19		CHEMBL
Short transient receptor potential channel 5	Ion channel		TRPC5_MOUSE		IC50	5.96		CHEMBL
Short transient receptor potential channel 7	Ion channel		TRPC7_MOUSE		IC50	4.58		CHEMBL

External reference:

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

Pharmaceutical products:

None