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

Stem definitionDrug idCAS RN
calcium channel blockers, nifedipine derivatives 837 120054-86-6

Description:

MoleculeDescription

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:

PropertyValueReference
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):

PropertyDescriptionValueUnitConfidenceSimilarity
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:

SourceCodeDescription
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 levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Voltage-gated L-type calcium channel Ion channel BLOCKER SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE
Translocator protein Transporter Ki 6.02 CHEMBL
D(1A) dopamine receptor GPCR Ki 6.43 CHEMBL
D(2) dopamine receptor GPCR Ki 6.55 CHEMBL
Alpha-2A adrenergic receptor GPCR Ki 6.05 CHEMBL
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 6.49 CHEMBL
Multidrug resistance protein 1 Transporter Ki 7.43 WOMBAT-PK
Sodium-dependent serotonin transporter Transporter Ki 6.06 CHEMBL
Sodium-dependent noradrenaline transporter Transporter Ki 6.07 CHEMBL
5-hydroxytryptamine receptor 1A GPCR Ki 6.27 CHEMBL
5-hydroxytryptamine receptor 2C GPCR Ki 5.73 CHEMBL
5-hydroxytryptamine receptor 6 GPCR Ki 6.06 CHEMBL
5-hydroxytryptamine receptor 7 GPCR Ki 6.50 CHEMBL
Alpha-1A adrenergic receptor GPCR Ki 10 CHEMBL
Alpha-2B adrenergic receptor GPCR Ki 6.18 CHEMBL
D(3) dopamine receptor GPCR Ki 6.37 CHEMBL
D(1B) dopamine receptor GPCR Ki 5.91 CHEMBL
Histamine H1 receptor GPCR Ki 7.05 CHEMBL
Muscarinic acetylcholine receptor M3 GPCR Ki 5.67 CHEMBL
Muscarinic acetylcholine receptor M5 GPCR Ki 6.14 CHEMBL
Mu-type opioid receptor GPCR Ki 6.89 CHEMBL
Alpha-2C adrenergic receptor GPCR Ki 6.35 CHEMBL
Sodium-dependent dopamine transporter Transporter Ki 6.23 CHEMBL
Adenosine receptor A3 GPCR Ki 5.72 CHEMBL
Alpha-1D adrenergic receptor GPCR Ki 6.77 CHEMBL
Alpha-1B adrenergic receptor GPCR Ki 7.25 CHEMBL
Kappa-type opioid receptor GPCR Ki 6.46 CHEMBL
Delta-type opioid receptor GPCR Ki 6.40 CHEMBL
Voltage-dependent T-type calcium channel subunit alpha-1H Ion channel Ki 5.82 WOMBAT-PK
5-hydroxytryptamine receptor 5A GPCR Ki 6.37 CHEMBL
Histamine H3 receptor GPCR Ki 5.67 CHEMBL
Transmembrane protein 97 Enzyme Ki 6.49 CHEMBL
5-hydroxytryptamine receptor 1B GPCR Ki 6.44 CHEMBL
Alpha-1B adrenergic receptor GPCR Ki 6.42 CHEMBL
Alpha-1A adrenergic receptor GPCR Ki 8.20 CHEMBL
Alpha-1D adrenergic receptor GPCR Ki 7.08 CHEMBL
D(2) dopamine receptor GPCR Ki 6.53 CHEMBL
Adenosine receptor A1 GPCR Ki 4.38 CHEMBL
Alpha-1A adrenergic receptor GPCR Ki 9.42 CHEMBL
Voltage-gated L-type calcium channel Ion channel Ki 7.22 CHEMBL

External reference:

IDSource
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