Compound Detail
CHEMBL237999
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccc(OCCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
Basic Information
| ChEMBL ID | CHEMBL237999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYUXJZRXVUEXON-IZHYOYPJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.8
MW (Da)
7.15
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.52 | 6.35 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 300.0 | nM | 6.52 | Antagonist activity at human androgen receptor expressed in HeLa cells assessed ... | 17804229 |
| Androgen receptor | IC50 | = | 660.0 | nM | 6.18 | Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 c... | 17804229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804229 | 10.1016/j.bmcl.2007.07.090 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine