General Information of the Compound
Compound ID
CP0217093
Compound Name
Enobosarm
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Synonyms
(2R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
(R)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
(R)-Ostarine
1132656-73-5
370C134
841205-47-8 pound not1202044-20-9
AOB87717
AS-17044
BCP9001038
BCPP000135
BRD-K16621777-001-01-9
C19H14F3N3O3
CHEBI:94527
DTXSID70649384
FT-0673314
GTx-024
I06-2154
NCGC00408913-01
SCHEMBL2197534
Y0247
ZINC35793633
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Structure
Formula
C19H14F3N3O3
Molecular Weight
389.333
Canonical SMILES
C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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InChI
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
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InChIKey
JNGVJMBLXIUVRD-SFHVURJKSA-N
CAS
841205-47-8
Physicochemical Property
logP
3.21726
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
106.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 11326715
SID: 16416756
ChEMBL ID
CHEMBL1738889
DrugBank ID
DB12078
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
CL000017 HeLa Homo sapiens (Human)  1
1
Activity = 1.5 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.55 nM
2 Ki = 3.8 nM
Protein ID: PT01486, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000930 GeneBLAzer AR-UAS-bla Griptite 293 Homo sapiens (Human)  1
1
IC50 = 36.4 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 20900 nM
   TI
   LI
   LO
   TS
CL000700 VCaP Homo sapiens (Human)  1
1
IC50 = 24470 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GTx-024 )
Drug Name GTx-024
Company GTx
Indication
Muscle atrophy
Phase 3
Breast cancer
Phase 2