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Prilocaine

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Prilocaine
IUPAC Name: N-(2-methylphenyl)-2-(propylamino)propanamide
Molecular Formula: C13H20N2O
SMILES: CCCNC(C)C(=O)NC1=CC=CC=C1C
Inchi: 1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
Inchi Key: MVFGUOIZUNYYSO-UHFFFAOYSA-N
Cas No: 721-50-6

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 0

Cross References

PubChem: 4906
Zinc: ZINC1530816 
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 220.31
Mass (g/mol) 220.158
Molar Refractivity 67.75
Net Charge 1
HBD 2
HBA 2
Rt Bonds 6
Rings 1
TPSA 41.13
Hetero Atoms 3
Heavy Atoms 16
Aromatic Heavy Atoms 6
Melting Point (°C) 37-38
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.46
LogP 2.322
iLOGP 2.96
XLOGP3 2.11
WLOGP 2.13
MLOGP 2.11
ESOL Log S -2.42
ESOL Solubility (mg/ml) 0.844
ESOL Solubility (mol/l) 0.004
ESOL Class: esol_class Soluble
Ali Log S -2.60
Ali Solubility (mg/ml) 0.55
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw -4.48
Silicos-IT Solubility (mg/ml) 0.01
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Moderately soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.15
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.845
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.506
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 1
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0