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

Stem definitionDrug idCAS RN
2454 498-71-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cyclidrol
  • sobrerol
  • pinol hydrate
  • sobrepin
  • 6,8-Carvomenthenediol
  • cutepin
  • ciclidrol
  • pinolhydrat
  • DL-trans-sobrelol
  • Molecular weight: 170.25
  • Formula: C10H18O2
  • CLOGP: 0.74
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 2
  • TPSA: 40.46
  • ALOGS: -0.82
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.43 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 2.70 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.90 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 72 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.509 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.984 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 6.808 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 4.064 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 82.180 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 87.550 % High 1
herg hERG pIC50 4.148 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.393 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 13.677 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 86.910 % High 1
kinase-safety-class ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,TEK 18
kinase-selectivity-class IRAK4,PDK1,PDK2 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.200 High 1
mh-clint Mouse hepatocyte intrinsic clearance 9.954 High 1
mppb Mouse plasma protein binding (% unbound) 86.800 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 7.568 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 65.010 % High 1
rh-clint Rat hepatocyte intrinsic clearance 9.528 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 89.950 % High 1
rppb Rat plasma protein binding (% unbound) 74.730 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 868.960 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:

SourceCodeDescription
ATC R05CB07 RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Mucolytics
MeSH PA D005100 Expectorants
MeSH PA D019141 Respiratory System Agents

Related Drugs by ATC class:

R05CB Mucolytics 13 drugs
acetylcysteineambroxolbromhexinecarbocisteinedomiodoldornase alfaeprazinoneerdosteineletosteinemannitolmesnaneltenexine show all 13 →

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

DiseaseRelationSNOMED_IDDOID
Chronic bronchitis indication 63480004 DOID:6132




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0074714 UMLSCUI
CHEBI:134802 CHEBI
CHEMBL2228862 ChEMBL_ID
D08520 KEGG_DRUG
DB13315 DRUGBANK_ID
91463 PUBCHEM_CID
C003316 MESH_SUPPLEMENTAL_RECORD_UI
36669 RXNORM
006968 NDDF
699183003 SNOMEDCT_US
714626003 SNOMEDCT_US
42370-41-2 SECONDARY_CAS_RN

Pharmaceutical products:

None