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Compound InformationSONAR Target prediction
Name:

Progesterone

Unique Identifier:LAT005F10
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O2
Molecular Weight:287.247 g/mol
X log p:2.124  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
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: 2 active | as graph: single | with analogs 2 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4716±0.0453255
Normalized OD Score: sc h 0.7595±0.0515094
Z-Score: -6.6041±0.9502
p-Value: 0.00000000149483
Z-Factor: -0.0404184
Fitness Defect: 20.3213
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:5|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00176
Plate DMSO Control (-):0.609±0.01750
Plate Z-Factor:0.8850
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DBLink | Rows returned: 718[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [120]
28450 3,4,4-trimethylcyclohex-2-en-1-one
28542 1-methylbicyclo[5.4.0]undec-10-en-9-one
29025 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-one
61362 (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one
65724 (1R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-one
85748 16-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 112 Next >> 
LOPAC 00696 1.0000
SPE01500508 1.0000
SPE00270067 1.0000
SB 01791 1.0000
SB 01194 1.0000
Prest411 1.0000

nonactive | Cluster 2094 | Additional Members: 20 | Rows returned: 132 3 Next >> 
SPE01505121 0.468354430379747
SPE00270067 0.463414634146341
SPE01505219 0.422535211267606
Prest432 0.375
SPE00300034 0.375
SPE00307023 0.348484848484849

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