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

Stem definitionDrug idCAS RN
1445 6556-11-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • inositol niacinate
  • hexanicit
  • hexanicotinoyl inositol
  • hexanicotol
  • inositol hexaniacinate
  • inositol hexanicotinate
  • inositol nicotinate
  • Molecular weight: 810.73
  • Formula: C42H30N6O12
  • CLOGP: 2.42
  • LIPINSKI: 2
  • HAC: 18
  • HDO: 0
  • TPSA: 235.14
  • ALOGS: -4.67
  • ROTB: 18

Drug dosage:

DoseUnitRoute
1.20 g O

ADMET properties:

PropertyValueReference
BA (Bioavailability) 68 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.294 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.459 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 11.722 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 18.155 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 7.130 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 24.360 % Moderate 0.65
herg hERG pIC50 5.078 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 16.144 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 200.909 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 6.800 % Moderate 0.65
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK 43
kinase-selectivity-class AXL,BRAF,CDK9,DYRK1B,EPHB4,ERBB2,GRK2,PRKDC,SIK2,STK33 10
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 7.482 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 134.586 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 2.630 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 9.772 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 13.760 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 60.674 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 29.570 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 7.780 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 2.864 uM Moderate 0.65

Approvals:

DateAgencyCompanyOrphan
None FDA

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
ATC C04AC03 CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Nicotinic acid and derivatives
MeSH PA D002317 Cardiovascular Agents
MeSH PA D014665 Vasodilator Agents
CHEBI has role CHEBI:25212 metabolite
CHEBI has role CHEBI:33231 antitubercular agent
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35476 antipsychotic agent
CHEBI has role CHEBI:35480 analgesic
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35620 vasodilator agent
CHEBI has role CHEBI:35679 antilipemic drug
CHEBI has role CHEBI:35821 anticholesteremic drug
CHEBI has role CHEBI:50247 antidote
CHEBI has role CHEBI:64946 anti-HIV agent
CHEBI has role CHEBI:74518 anti-obesity agent
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:75835 anti-anaemic agent
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76971 <em>Escherichia coli</em> metabolite
CHEBI has role CHEBI:84087 human urinary metabolite
CHEBI has role CHEBI:84264 EC 3.5.1.19 (nicotinamidase) inhibitor
CHEBI has role CHEBI:145947 antiatherosclerotic agent
CHEBI has role CHEBI:231911 renoprotective agent

Related Drugs by ATC class:

C04AC Nicotinic acid and derivatives 3 drugs
ciclonicatenicotinic acidnicotinyl alcohol

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

DiseaseRelationSNOMED_IDDOID
Pellagra indication 418186002 DOID:8457
Niacin deficiency indication 418279001
Hyperlipidemia off-label use 55822004 DOID:1168
Hypophosphatemia contraindication 4996001
Alcoholism contraindication 7200002
Peptic ulcer contraindication 13200003 DOID:750
Myocardial infarction contraindication 22298006 DOID:5844
Acute cerebrovascular insufficiency contraindication 29322000
Low blood pressure contraindication 45007003
Blood coagulation disorder contraindication 64779008 DOID:1247
Diabetes mellitus contraindication 73211009 DOID:9351
Hyperglycemia contraindication 80394007 DOID:4195
Gout contraindication 90560007 DOID:13189
Liver function tests abnormal contraindication 166603001
Cerebrovascular accident contraindication 230690007
Arterial hemorrhage contraindication 234003006
Disease of liver contraindication 235856003 DOID:409
Pregnancy, function contraindication 289908002
Thrombocytopenic disorder contraindication 302215000 DOID:1588
Acute coronary syndrome contraindication 394659003
Breastfeeding (mother) contraindication 413712001
Disorder of coronary artery contraindication 414024009
Cerebral infarction contraindication 432504007 DOID:3526




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.91 Basic
pKa2 3.45 Basic
pKa3 3.18 Basic
pKa4 2.93 Basic
pKa5 2.66 Basic
pKa6 2.29 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D01813 KEGG_DRUG
4017661 VANDF
4019440 VANDF
C0063584 UMLSCUI
CHEBI:50134 CHEBI
NIO PDB_CHEM_ID
CHEMBL1094982 ChEMBL_ID
DB08949 DRUGBANK_ID
C005193 MESH_SUPPLEMENTAL_RECORD_UI
3720 PUBCHEM_CID
27604 RXNORM
2275 MMSL
43641 MMSL
5169 MMSL
7161 MMSL
d00314 MMSL
001052 NDDF
003846 NDDF
273943001 SNOMEDCT_US
414506003 SNOMEDCT_US
63639004 SNOMEDCT_US
C0027996 UMLSCUI
DB00627 DRUGBANK_ID
938 PUBCHEM_CID
1160 INN_ID
A99MK953KZ UNII
CHEBI:15940 CHEBI
A99MK953KZ INXIGHT DRUGS

Pharmaceutical products:

None