General Information of the Compound
Compound ID
CP0044854
Compound Name
METHYLTRIENOLONE
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Synonyms
[3H]-R1881
(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one
17-beta-hydroxy-17-methylestra-4,9,11-trien-3-one (9CI)
17-methyloestra-4,9,11-trien-3-one,17beta-ol
17alpha-Methyltrienolone
17beta-Hydroxy-17-methylestra-4,9,11-trien-3-one
2C323EGI97
965-93-5
CHEBI:379896
Estra-4,9,11-trien-3-one, 17-hydroxy-17-methyl-, (17b)-
METRIBOLONE
Methyltrienolone
Metribolona
Metribolonum
R 1881
R-1881
R1881
R1881 (synthetic androgen)
RU 1881
Ru-1881
UNII-2C323EGI97
[3H]R1881
[3H]methyltrienolone
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Structure
Formula
C19H24O2
Molecular Weight
284.399
Canonical SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
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InChI
InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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InChIKey
CCCIJQPRIXGQOE-XWSJACJDSA-N
CAS
965-93-5
Physicochemical Property
logP
3.7194
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 261000
ChEMBL ID
CHEMBL166444
DrugBank ID
DB02998
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000361 C2C12 Mus musculus (Mouse)  1
1
EC50 = 0.013 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.11 nM
2 IC50 = 7 nM
3 Kd = 0.52 nM
4 Kd = 0.56 nM
5 Kd = 0.6 nM
6 Kd = 0.61 nM
7 Kd = 0.68 nM
8 Kd = 0.74 nM
9 Kd = 0.99 nM
10 Kd = 1.21 nM
11 Kd = 1.51 nM
12 Kd = 1.95 nM
Protein ID: PT01486, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]methyltrienolone )
Drug Name [3H]methyltrienolone
Target(s)
Androgen receptor messenger RNA (AR mRNA)
Agonist
Progesterone receptor (PGR)
Inhibitor
Androgen receptor (AR)
Inhibitor