smProdrugs search icon
search icon
Advanced search
Prodrug name : Ro-48-3656
PDID : PDIDR016
Activating enzyme : Na
Mode of activation : Hydrolysis and reduction

Indication : Acute coronary syndrome

Target : Fibrinogen receptor; GP IIb-IIIa receptor
Properties improved : Selectivity
Structure
Prodrug Active compound
Ro-48-3656
Experimental pharmacokinetic properties

Active compound
Experimental solubility and lipophilicity
LogP : Na
Solubility : Na
Predicted properties (SwissADME)

Physicochemical Properties

Prodrug
Formula : C18H24N4O6
Molecular weight : 392.41
Num. heavy atoms : 28
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 9
Num. H-bond acceptors : 7
Num. H-bond donors : 4
Molar Refractivity : 102.54
Plasma TPSA : 154.55

Active compound

Lipophilicity

Prodrug
Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 0.26
Log Po/w (WLOGP) : -0.39
Log Po/w (MLOGP) : 0.2
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : 0.34

Active compound

Water Solubility

Prodrug
Log S (ESOL) : -2
Solubility : 3.91; 0.00997
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.337; 0.000858
Class : Soluble
Log S (SILICOS-IT) : -1.88
Solubility : 5.14; 0.0131
Class : Soluble

Pharmacokinetics

Prodrug
GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No; 0.0131
Log Kp (skin permeation) : -8.51

Druglikeness

External web links (WL)

1) https://pubchem.ncbi.nlm.nih.gov/compound/53915611

References (R)

1) doi:10.1046/j.1365-2125.1999.00931.x; 2) doi:10.1016/S0378-4347(97)00418-0