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Compound InformationSONAR Target prediction
Name:

4-Androstene-3,17-dione

Unique Identifier:LOPAC 00696
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H26O2
Molecular Weight:263.226 g/mol
X log p:1.299  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O
Class:Hormone
Action:Precursor
Selectivity:Androgen
Generic_name:Progesterone
Chemical_iupac_name:17-acetyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopent
a[a]phenanthren-3-one
Drug_type:Approved Drug
Pharmgkb_id:PA451123
Kegg_compound_id:C00410
Drugbank_id:APRD00700
Melting_point:121 oC
H2o_solubility:8.81 mg/L
Logp:4.036
Cas_registry_number:57-83-0
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C57830&Index=0&Type=Mass&Large=on
Drug_category:Contraceptives; Progestins; ATC:G03AC06; ATC:G03DA02; ATC:G03DA03; ATC:G03DA04;
ATC:L02AB02
Indication:For progesterone supplementation or replacement as part of an Assisted Reproductive
Technology (ART) treatment for infertile women with progesterone deficiency and for
the treatment of secondary amenorrhea. Also used as a female contraceptive.
Pharmacology:Progesterone is a progestin or a synthetic form of the naturally occurring female
sex hormone, progesterone. In a woman-s normal menstrual cycle, an egg matures and
is released from the ovaries (ovulation). The ovary then produces progesterone,
preventing the release of further eggs and priming the lining of the womb for a
possible pregnancy. If pregnancy occurs, progesterone levels in the body remain
high, maintaining the womb lining. If pregnancy does not occur, progesterone levels
in the body fall, resulting in a menstrual period. Progesterone tricks the body
processes into thinking that ovulation has already occurred, by maintaining high
levels of the synthetic progesterone. This prevents the release of eggs from the
ovaries.
Mechanism_of_action:Binds to the progesterone and estrogen receptors. Target cells include the female
reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once
bound to the receptor, progestins like Progesterone will slow the frequency of
release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the
pre-ovulatory LH (luteinizing hormone) surge.
Organisms_affected:Humans and other mammals

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.6924±0.00388909
Normalized OD Score: sc h 1.0203±0.00276612
Z-Score: 1.1471±0.233141
p-Value: 0.25777
Z-Factor: -2.02672
Fitness Defect: 1.3557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04865±0.00088
Plate DMSO Control (-):0.663375±0.01098
Plate Z-Factor:0.9389
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DBLink | Rows returned: 406[1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [68]
3467494 6,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
3473506 n/a
3611313 3-decylcyclohex-2-en-1-one
3661066 4-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
3699008 17-acetyl-10,13,16,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
3782139 3-methyl-5-propyl-cyclohex-2-en-1-one

internal high similarity DBLink | Rows returned: 122 Next >> 
RJC 03876 0.9048
NRB 03820 0.9268
SPE01505219 0.9744
SPE01504116 1.0000
SPE01500508 1.0000
SPE00270067 1.0000

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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