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Compound InformationSONAR Target prediction
Name:

17alpha-hydroxyprogesterone

Unique Identifier:LOPAC 00951
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O3
Molecular Weight:303.247 g/mol
X log p:0.673  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
Class:Hormone
Action:Metabolite
Selectivity:Progesterone
Generic_name:Medroxyprogesterone
Chemical_iupac_name:17-acetyl-17-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradeca
hydrocyclopenta[a]phenanthren-3-one
Drug_type:Approved Drug
Kegg_compound_id:C07119
Drugbank_id:APRD00627
Melting_point:220 - 223.5 oC
H2o_solubility:22.2mg/L
Logp:3.606
Cas_registry_number:520-85-4
Drug_category:Contraceptives; Progestins; ATC:G03AC06; ATC:G03DA02; ATC:L02AB02
Indication:Contraception
Pharmacology:Medroxyprogesterone, a synthetic progestin more potent than progesterone, is used as
a contraceptive and to treat amenorrhea, abnormal uterine bleeding, endometriosis,
endometrial and renal cell carcinomas, and pulmonary disorders such as chronic
obstructive pulmonary disease (COPD), Pickwickian syndrome, and other hypercapnic
pulmonary conditions.
Mechanism_of_action:Progestins diffuse freely into target cells in the female reproductive tract,
mammary gland, hypothalamus, and the pituitary and bind to the progesterone
receptor. Once bound to the receptor, progestins slow the frequency of release of
gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the
pre-ovulatory LH surge.
Organisms_affected:Humans and other mammals

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.5852±0.0149907
Normalized OD Score: sc h 0.9472±0.0149768
Z-Score: -1.8807±0.821966
p-Value: 0.103801
Z-Factor: -283.735
Fitness Defect: 2.2653
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.045425±0.00296
Plate DMSO Control (-):0.62435±0.06906
Plate Z-Factor:0.7014
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DBLink | Rows returned: 58<< Back 1 2 3 4 5 6 7 8 9 10 Next >> 
3333942 2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-hydro
xy-acetaldehyde
4323132 17-(2-hydroxyacetyl)-8,9,10,13,14-pentamethyl-2,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren
-3-one
5069272 17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-
one
5216197 17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
5316556 (10R,13R,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]
phenanthren-3-one
6540826 (8S,9R,10R,13R,14R,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyc
lopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 152 3 Next >> 
SPE01500990 0.9167
SPE01500989 0.9167
LOPAC 00661 0.9184
LOPAC 00759 0.9184
SB 01709 0.9556
NRB 04205 0.9556

active | Cluster 13537 | Additional Members: 14 | Rows returned: 4
SPE01500343 0.421052631578947
LOPAC 00859 0.375
SPE01503221 0.353846153846154
SPE01701060 0

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