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

Stem definitionDrug idCAS RN
1119 53370-90-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • exalamide
  • 2-n-Hexyloxybenzamide
  • hyperan
  • Molecular weight: 221.30
  • Formula: C13H19NO2
  • CLOGP: 3.41
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 52.32
  • ALOGS: -4.05
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.518 Moderate 0.70
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.102 Moderate 0.70
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 86.896 10^-6 cm/s Moderate 0.70
dh-clint Dog hepatocyte intrinsic clearance 257.632 uL/min/10^6 cells Moderate 0.70
dppb Dog plasma protein binding (% unbound) 2.400 % Moderate 0.70
fcs-ppb Fetal calf serum protein binding (% unbound) 5.340 % Moderate 0.70
herg hERG pIC50 4.698 pIC50 Moderate 0.70
hh-clint Human hepatocyte intrinsic clearance 118.304 uL/min/10^6 cells Moderate 0.70
hlm-clint Human liver microsomal intrinsic clearance 381.066 uL/min/mg protein Moderate 0.70
hppb Human plasma protein binding (% unbound) 2.870 % Moderate 0.70
kinase-safety-class ACVR2A,ACVR2B,ALK,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK,ULK1 40
kinase-selectivity-class AXL,BRAF,GRK2,SIK2,STK33,TTK 6
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.205 Moderate 0.70
mh-clint Mouse hepatocyte intrinsic clearance 576.766 Moderate 0.70
mppb Mouse plasma protein binding (% unbound) 4.440 Moderate 0.70
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.109 Moderate 0.70
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.100 % Moderate 0.70
rh-clint Rat hepatocyte intrinsic clearance 231.739 uL/min/10^6 cells Moderate 0.70
rh-fuinc Rat hepatocyte fraction unbound in incubation 56.690 % Moderate 0.70
rppb Rat plasma protein binding (% unbound) 4 % Moderate 0.70
solubility-dd Solubility at pH 7.4 in DMSO 21.878 uM Moderate 0.70

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
CHEBI has role CHEBI:35718 antifungal agent

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 12.73 acidic

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
Histone deacetylase 6 Enzyme IC50 5.85 CHEMBL

External reference:

IDSource
D01585 KEGG_DRUG
C0046146 UMLSCUI
CHEBI:31585 CHEBI
CHEMBL1405973 ChEMBL_ID
3316 PUBCHEM_CID
4257 INN_ID
7JEC65JCG2 UNII
703415004 SNOMEDCT_US
704669001 SNOMEDCT_US

Pharmaceutical products:

None