Oja, M.; Maran, U. pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling. Eur. J. Pharm. Sci. 2018, 123, 429-440.

Compound

	ID:	M088
	Name:	Medroxyprogesterone acetate
	Description:
	Labels:
	CAS:	71-58-9
	InChi Code:	InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1

logPe_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]

Value	Source or prediction
-5.44	experimental value
-5.12	Eq.4: QSAR model for membrane permeability at pH 3 (Training set)

logPe_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]

Value	Source or prediction
-5.52	experimental value
-4.92	Eq.5: QSAR model for membrane permeability at pH 5 (Training set)

logPe_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]

Value	Source or prediction
-5.58	experimental value
-4.25	Eq.6: QSAR model for membrane permeability at pH 7.4 (Validation set)

logPe_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]

Value	Source or prediction
-5.55	experimental value
-4.35	Eq.7: QSAR model for membrane permeability at pH 9 (Training set)

logPe_highest: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)]

Value	Source or prediction
-5.44	experimental value
-4.18	Eq.8: QSAR model for highest membrane permeability (Validation set)

logPo: Logarithmic intrinsic membrane permeability [log(cm/s)]

Value	Source or prediction
-5.52	experimental value
-2.8	Eq.9: QSAR model for intrinsic membrane permeability (Training set)

logPe_pH3_class: Class of logarithmic effective membrane permeability at pH 3 i

Value	Source or prediction
H	experimental value
H	Eq.4_class: Classification model for membrane permeability at pH 3 (Training set)

logPe_pH5_class: Class of logarithmic effective membrane permeability at pH 5 i

Value	Source or prediction
H	experimental value
H	Eq.5_class: Classification model for membrane permeability at pH 5 (Training set)

logPe_pH7.4_class: Class of logarithmic effective membrane permeability at pH 7.4 i

Value	Source or prediction
H	experimental value
H	Eq.6_class: Classification model for membrane permeability at pH 7.4 (Validation set)

logPe_pH9_class: Class of logarithmic effective membrane permeability at pH 9 i

Value	Source or prediction
H	experimental value
H	Eq.7_class: Classification model for membrane permeability at pH 9 (Training set)

logPe_highest_class: Class of highest logarithmic effective membrane permeability for pH range 3 to 9 i

Value	Source or prediction
H	experimental value
H	Eq.8_class: Classification model for highest membrane permeability (Validation set)

logPo_class: Class of logarithmic intrinsic membrane permeability i

Value	Source or prediction
H	experimental value
H	Eq.9_class: Classification model for intrinsic membrane permeability (Training set)

Link	Resource description
DTXCID905527	US EPA CompTox Dashboard