Compound Detail
CHEMBL265926
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Basic Information
| ChEMBL ID | CHEMBL265926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZYOQPBSKIOCIK-XSSYPUMDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
4.21
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Kd 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 9.32 | 9.32 | 0.5 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 0.4786 | nM | 9.32 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Tubulin beta chain | IC50 | = | 4800.0 | nM | 5.32 | In vitro inhibition of tubulin polymerization. | 7783135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783135 | 10.1021/jm00012a003 | Tubulin beta chain | 2 |
| 7990116 | 10.1021/jm00050a013 | Estrogen receptor | 1 |
| 7783135 | 10.1021/jm00012a003 | HOP-62 | 1 |
| 7783135 | 10.1021/jm00012a003 | HCT-116 | 1 |
| 7783135 | 10.1021/jm00012a003 | SF-539 | 1 |
| 7783135 | 10.1021/jm00012a003 | UACC-62 | 1 |
| 7783135 | 10.1021/jm00012a003 | OVCAR-3 | 1 |
| 7783135 | 10.1021/jm00012a003 | SN12C | 1 |
| 7783135 | 10.1021/jm00012a003 | DU-145 | 1 |
| 7783135 | 10.1021/jm00012a003 | MDA-MB-435 | 1 |
| 7783135 | 10.1021/jm00012a003 | Panel (Carcinoma cell lines) | 1 |
| 7411555 | 10.1021/jm00183a007 | Estrogen receptor | 1 |
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine