All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

dexniguldipine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
calcium channel blockers, nifedipine derivatives	837	120054-86-6

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: niguldipine hydrobromide niguldipine fumarate niguldipine hydrochloride niguldipine HCl B859-35 B 859-35 B8509-035 dexniguldipine (+)-Niguldipine (R)-Niguldipine	Molecular weight: 609.72 Formula: C36H39N3O6 CLOGP: 7.85 LIPINSKI: 2 HAC: 9 HDO: 1 TPSA: 111.01 ALOGS: -6.73 ROTB: 12

Drug dosage:

None

ADMET properties:

Property	Value	Reference
Vd (Volume of distribution)	8.40 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	9.30 mL/min/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	22 hours	Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	4.684		Moderate	0.66
caco2-efflux	Caco-2 efflux ratio (BA/AB)	2.399		Moderate	0.66
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	3.112	10^-6 cm/s	Moderate	0.66
dh-clint	Dog hepatocyte intrinsic clearance	60.814	uL/min/10^6 cells	Moderate	0.66
dppb	Dog plasma protein binding (% unbound)	0.160	%	Moderate	0.66
fcs-ppb	Fetal calf serum protein binding (% unbound)	0.680	%	Moderate	0.66
herg	hERG pIC50	6.229	pIC50	Moderate	0.66
hh-clint	Human hepatocyte intrinsic clearance	46.666	uL/min/10^6 cells	Moderate	0.66
hlm-clint	Human liver microsomal intrinsic clearance	254.683	uL/min/mg protein	Moderate	0.66
hppb	Human plasma protein binding (% unbound)	0.240	%	Moderate	0.66
kinase-safety-class	ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ZAP70	49
kinase-selectivity-class	AXL,BRAF,GRK2,PDK4,PIK3CD,STK33,TEK	7
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	6.457		Moderate	0.66
mh-clint	Mouse hepatocyte intrinsic clearance	190.985		Moderate	0.66
mppb	Mouse plasma protein binding (% unbound)	0.220		Moderate	0.66
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	19.679		Moderate	0.66
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	0.470	%	Moderate	0.66
rh-clint	Rat hepatocyte intrinsic clearance	202.768	uL/min/10^6 cells	Moderate	0.66
rh-fuinc	Rat hepatocyte fraction unbound in incubation	1.350	%	Moderate	0.66
rppb	Rat plasma protein binding (% unbound)	0.210	%	Moderate	0.66
solubility-dd	Solubility at pH 7.4 in DMSO	0.634	uM	Moderate	0.66

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
MeSH PA	D000077264	Calcium-Regulating Hormones and Agents
MeSH PA	D000959	Antihypertensive Agents
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D002121	Calcium Channel Blockers
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D049990	Membrane Transport Modulators

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	8.38	Basic
pKa2	2.37	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
Voltage-gated L-type calcium channel	Ion channel	Q01668 Q13936	CAC1D_HUMAN CAC1C_HUMAN	BLOCKER				SCIENTIFIC LITERATURE	SCIENTIFIC LITERATURE
Translocator protein	Transporter	P30536	TSPO_HUMAN		Ki	6.02		CHEMBL
D(1A) dopamine receptor	GPCR	P21728	DRD1_HUMAN		Ki	6.43		CHEMBL
D(2) dopamine receptor	GPCR	P14416	DRD2_HUMAN		Ki	6.55		CHEMBL
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN		Ki	6.05		CHEMBL
Sigma non-opioid intracellular receptor 1	Membrane receptor	Q99720	SGMR1_HUMAN		Ki	6.49		CHEMBL
Multidrug resistance protein 1	Transporter	P08183	MDR1_HUMAN		Ki	7.43		WOMBAT-PK
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN		Ki	6.06		CHEMBL
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN		Ki	6.07		CHEMBL
5-hydroxytryptamine receptor 1A	GPCR	P08908	5HT1A_HUMAN		Ki	6.27		CHEMBL
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN		Ki	5.73		CHEMBL
5-hydroxytryptamine receptor 6	GPCR	P50406	5HT6R_HUMAN		Ki	6.06		CHEMBL
5-hydroxytryptamine receptor 7	GPCR	P34969	5HT7R_HUMAN		Ki	6.50		CHEMBL
Alpha-1A adrenergic receptor	GPCR	P35348	ADA1A_HUMAN		Ki	10		CHEMBL
Alpha-2B adrenergic receptor	GPCR	P18089	ADA2B_HUMAN		Ki	6.18		CHEMBL
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN		Ki	6.37		CHEMBL
D(1B) dopamine receptor	GPCR	P21918	DRD5_HUMAN		Ki	5.91		CHEMBL
Histamine H1 receptor	GPCR	P35367	HRH1_HUMAN		Ki	7.05		CHEMBL
Muscarinic acetylcholine receptor M3	GPCR	P20309	ACM3_HUMAN		Ki	5.67		CHEMBL
Muscarinic acetylcholine receptor M5	GPCR	P08912	ACM5_HUMAN		Ki	6.14		CHEMBL
Mu-type opioid receptor	GPCR	P35372	OPRM_HUMAN		Ki	6.89		CHEMBL
Alpha-2C adrenergic receptor	GPCR	P18825	ADA2C_HUMAN		Ki	6.35		CHEMBL
Sodium-dependent dopamine transporter	Transporter	Q01959	SC6A3_HUMAN		Ki	6.23		CHEMBL
Adenosine receptor A3	GPCR	P0DMS8	AA3R_HUMAN		Ki	5.72		CHEMBL
Alpha-1D adrenergic receptor	GPCR	P25100	ADA1D_HUMAN		Ki	6.77		CHEMBL
Alpha-1B adrenergic receptor	GPCR	P35368	ADA1B_HUMAN		Ki	7.25		CHEMBL
Kappa-type opioid receptor	GPCR	P41145	OPRK_HUMAN		Ki	6.46		CHEMBL
Delta-type opioid receptor	GPCR	P41143	OPRD_HUMAN		Ki	6.40		CHEMBL
Voltage-dependent T-type calcium channel subunit alpha-1H	Ion channel	O95180	CAC1H_HUMAN		Ki	5.82		WOMBAT-PK
5-hydroxytryptamine receptor 5A	GPCR	P47898	5HT5A_HUMAN		Ki	6.37		CHEMBL
Histamine H3 receptor	GPCR	Q9Y5N1	HRH3_HUMAN		Ki	5.67		CHEMBL
Transmembrane protein 97	Enzyme	Q5BJF2	TMM97_HUMAN		Ki	6.49		CHEMBL
5-hydroxytryptamine receptor 1B	GPCR	P28222	5HT1B_HUMAN		Ki	6.44		CHEMBL
Alpha-1B adrenergic receptor	GPCR		ADA1B_RAT		Ki	6.42		CHEMBL
Alpha-1A adrenergic receptor	GPCR		ADA1A_RAT		Ki	8.20		CHEMBL
Alpha-1D adrenergic receptor	GPCR		ADA1D_RAT		Ki	7.08		CHEMBL
D(2) dopamine receptor	GPCR		DRD2_RAT		Ki	6.53		CHEMBL
Adenosine receptor A1	GPCR		AA1R_RAT		Ki	4.38		CHEMBL
Alpha-1A adrenergic receptor	GPCR		ADA1A_BOVIN		Ki	9.42		CHEMBL
Voltage-gated L-type calcium channel	Ion channel		CAC1C_RAT CAC1D_RAT CAC1S_RAT		Ki	7.22		CHEMBL

External reference:

ID	Source
113145-69-0	SECONDARY_CAS_RN
C0208704	UMLSCUI
CHEBI:7572	CHEBI
CHEMBL2051956	ChEMBL_ID
CHEMBL405355	ChEMBL_ID
DB14068	DRUGBANK_ID
C054074	MESH_SUPPLEMENTAL_RECORD_UI
463	IUPHAR_LIGAND_ID
6938	INN_ID
N9DG6ZTC43	UNII
6918097	PUBCHEM_CID
N9DG6ZTC43	INXIGHT DRUGS

Pharmaceutical products:

None