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Ribavirin

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Ribavirin
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
Molecular Formula: C8H12N4O5
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
Inchi: 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
Inchi Key: IWUCXVSUMQZMFG-AFCXAGJDSA-N
Cas No: 36791-04-5

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 1
Veber Violations 1
Egan Violations 1
Muegge Violations 0

Cross References

PubChem: 37542
Zinc: ZINC1035331
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 244.20
Mass (g/mol) 244.081
Molar Refractivity 51.06
Net Charge
HBD 4
HBA 7
Rt Bonds 3
Rings 2
TPSA 143.72
Hetero Atoms 9
Heavy Atoms 17
Aromatic Heavy Atoms 5
Melting Point (°C) 166
Boiling Point (°C@760.00mm Hg) 639.8
Vapor Pressure (mmHg@25.00 °C) 5.1
Vapor Density (Air =1)
Fraction Csp3 0.62
LogP -3.011
iLOGP 0.35
XLOGP3 -1.85
WLOGP -3.34
MLOGP -2.94
ESOL Log S -0.21
ESOL Solubility (mg/ml) 151
ESOL Solubility (mol/l) 0.619
ESOL Class: esol_class Very soluble
Ali Log S -0.65
Ali Solubility (mg/ml) 54.7
Ali Solubility (mol/l) 0.22
Ali Class Very soluble
Silicos-IT LogSw 1.76
Silicos-IT Solubility (mg/ml) 14000
Silicos-IT Solubility (mol/l) 57.3
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.10
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.114
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.004
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 1
Androgen Receptor Binding 0
Aromatase Binding 1
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0