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Cycloserine

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Cycloserine
IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one
Molecular Formula: C3H6N2O2
SMILES: C1[C@H](C(=O)NO1)N
Inchi: 1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
Inchi Key: DYDCUQKUCUHJBH-UWTATZPHSA-N
Cas No: 68-41-7

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 6234
Zinc: ZINC34676245
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 102.09
Mass (g/mol) 102.043
Molar Refractivity 25.13
Net Charge
HBD 2
HBA 3
Rt Bonds 0
Rings 1
TPSA 64.35
Hetero Atoms 4
Heavy Atoms 7
Aromatic Heavy Atoms 0
Melting Point (°C) 155.5
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.67
LogP -0.785
iLOGP 0.53
XLOGP3 -1.51
WLOGP -2.01
MLOGP -1.68
ESOL Log S 0.48
ESOL Solubility (mg/ml) 307
ESOL Solubility (mol/l) 3.01
ESOL Class: esol_class Highly soluble
Ali Log S 0.66
Ali Solubility (mg/ml) 471
Ali Solubility (mol/l) 4.62
Ali Class Highly soluble
Silicos-IT LogSw 0.27
Silicos-IT Solubility (mg/ml) 192
Silicos-IT Solubility (mol/l) 1.88
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.99
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.16
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 1.269
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 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0