General Information of the Compound
Compound ID
CP0065959
Compound Name
Android
    Show/Hide
Synonyms
Android (TN)
Methyltestosterone
    Show/Hide
Structure
Formula
C20H30O2
Molecular Weight
302.458
Canonical SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
    Show/Hide
InChI
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
    Show/Hide
InChIKey
GCKMFJBGXUYNAG-HLXURNFRSA-N
CAS
1300-17-0
31745-24-1
58-18-4
Physicochemical Property
logP
4.2693
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6010
SID: 14800583
ChEMBL ID
CHEMBL1395
DrugBank ID
DB06710
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 1843 nM
   TI
   LI
   LO
   TS
2
Ki = 838 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Methyltestosterone )
Drug Name Methyltestosterone
Company Valeant Pharmaceuticals
Indication
Solid tumour/cancer
Approved