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

Stem definitionDrug idCAS RN
628 4940-39-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • chromocarb
  • 2-Chromonecarboxylic acid
  • campel
  • atremon
  • 4-Oxochromene-2-carboxylic acid
treatment for certain forms of hemorrhagic anal inflammations
  • Molecular weight: 190.15
  • Formula: C10H6O4
  • CLOGP: 1.30
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 63.60
  • ALOGS: -2.03
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -2.038 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 8.630 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.959 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 1.589 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 15.520 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 34.470 % High 1
herg hERG pIC50 4.672 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.589 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.365 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 8.240 % High 1
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 67
kinase-selectivity-class ACVR2A,ACVR2B,AXL,BRAF,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP2K3,MAP2K6,MAPK7,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK,TGFBR1,TTK 21
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.348 High 1
mh-clint Mouse hepatocyte intrinsic clearance 1.871 High 1
mppb Mouse plasma protein binding (% unbound) 41.670 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.109 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 12.550 % High 1
rh-clint Rat hepatocyte intrinsic clearance 2.042 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 93.640 % High 1
rppb Rat plasma protein binding (% unbound) 6.500 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 831.764 uM High 1

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:

None

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 1.5 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07695 KEGG_DRUG
C0304535 UMLSCUI
CHEBI:113552 CHEBI
CHEMBL83628 ChEMBL_ID
2741 PUBCHEM_CID
C031334 MESH_SUPPLEMENTAL_RECORD_UI
2786 INN_ID
FY38S0790W UNII
004168 NDDF
29783009 SNOMEDCT_US
AO7 PDB_CHEM_ID

Pharmaceutical products:

None