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Minoxidil

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Minoxidil
IUPAC Name: 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
Molecular Formula: C9H15N5O
SMILES: C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O
Inchi: 1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
Inchi Key: ZIMGGGWCDYVHOY-UHFFFAOYSA-N
Cas No: 38304-91-5

Functional Group

Drug Likeness

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

Cross References

PubChem: 4201
Zinc: ZINC1735
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 209.25
Mass (g/mol) 209.128
Molar Refractivity 60.15
Net Charge
HBD 3
HBA 3
Rt Bonds 1
Rings 2
TPSA 91.16
Hetero Atoms 6
Heavy Atoms 15
Aromatic Heavy Atoms 6
Melting Point (°C) 248
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.56
LogP -0.13
iLOGP 1.82
XLOGP3 -0.56
WLOGP -0.20
MLOGP 1.05
ESOL Log S -1.01
ESOL Solubility (mg/ml) 20.2
ESOL Solubility (mol/l) 0.097
ESOL Class: esol_class Very soluble
Ali Log S -0.88
Ali Solubility (mg/ml) 27.3
Ali Solubility (mol/l) 0.13
Ali Class Very soluble
Silicos-IT LogSw -0.68
Silicos-IT Solubility (mg/ml) 44.1
Silicos-IT Solubility (mol/l) 0.21
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.97
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.414
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.564
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 0
Androgen Receptor Binding 1
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