General Information of the Compound
Compound ID
CP0671671
Compound Name
SID855830
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Synonyms
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(6alpha)-17-hydroxy-6-methylpregn-4-ene-3,20-dione
17 alpha Hydroxy 6 alpha Methylprogesterone
17 alpha-Hydroxy-6 alpha-Methylprogesterone
17-Hydroxy-6.alpha.-methylprogesterone
17-Hydroxy-6alpha-methyl-pregn-4-ene-3,20-dione
17-Hydroxy-6alpha-methylprogesterone
17.alpha.-Hydroxy-6.alpha.-methylprogesterone
17alpha-Hydroxy-6alpha-methyl-4-pregnene-3,20-dione
17alpha-Hydroxy-6alpha-methylprogesterone
6-Dihydromegestrol
6-alpha-Methyl-17-alpha-hydroxyprogesterone
6.alpha.-Methyl-17.alpha.-hydroxyprogesterone
6alpha-Methyl-17alpha-hydroxyprogesterone
6alpha-Methyl-4-pregnen-17alpha-ol-3,20-dione
6alpha-Methyl-5-pregnen-17alpha-ol-3,20-dione
Adgyn Medro
Asconale
CBP-1011
Colirest
Farlutal inyectable
Farlutal inyectable (TN)
G-Farlutal
Hematrol
Hydroxymethylprogesterone
Lunelle
MPA Gyn 5
Medroprogesterone Acetate
Medrossiprogesterone
Medrossiprogesterone [DCIT]
Medroxiprogesterona
Medroxiprogesterona [INN-Spanish]
Medroxiprogesteronum
Medroxyprogesteron
Medroxyprogesteron acetate
Medroxyprogesterone
Medroxyprogesterone (INN)
Medroxyprogesterone Strakan Brand
Medroxyprogesterone [INN:BAN]
Medroxyprogesteronum
Medroxyprogesteronum [INN-Latin]
Methylhydroxyprogesterone
Novo-Medrone
Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6-alpha)-(9CI)
Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6alpha)-(9CI)
Sodelut G
Strakan Brand of Medroxyprogesterone
U 8840
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Structure
Formula
C22H32O3
Molecular Weight
344.495
Canonical SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
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InChI
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
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InChIKey
FRQMUZJSZHZSGN-HBNHAYAOSA-N
CAS
520-85-4
Physicochemical Property
logP
4.0844
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
54.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10631
SID: 14875913
ChEMBL ID
CHEMBL1390
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 19 nM
   TI
   LI
   LO
   TS
2
Ki = 8.597 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Medroxyprogesterone )
Drug Name Medroxyprogesterone
Company Pharmacia And Upjohn Co
Indication
Solid tumour/cancer
Approved
Target(s)
Progesterone receptor (PGR)
Agonist