General
Preferred name
CALUSTERONE
Synonyms
U-22,550 ()
U-22550 ()
Methosarb ()
Dimethyltestosterone ()
NSC-88536 ()
P&D ID
PD008779
CAS
17021-26-0
Tags
natural product
drug
Drug indication
Antineoplastic
Discovery agent
Drug Status
experimental
illicit
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA The effects of calusterone in humans most likely occur by way of two main mechanisms: by activation of the androgen receptor, and by conversion to estradiol and activation of certain estrogen receptors.; Using testosterone as the prime example, free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5α-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5α-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.
Compound Sets
5
ChEMBL Drugs
CHEMBL455706
DrugBank
DB01564
DrugCentral
468
DrugCentral Approved Drugs
468
DrugMAP
DMBK2S8
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
316.24
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
4.52
TPSA
37.3
Fraction CSP3
0.86
Chiral centers
7.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data