Compound Detail
CHEMBL241993
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Basic Information
| ChEMBL ID | CHEMBL241993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZNMSHBVDFVSA-NNYOOSKESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.92
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 100.0 | nM | 7.0 | Competitive inhibition of human aromatase extracted from placental microsomes af... | 26469743 |
| Tubulin beta chain | IC50 | = | 17000.0 | nM | 4.77 | In vitro inhibition of tubulin polymerization. | 7783135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783135 | 10.1021/jm00012a003 | Tubulin beta chain | 2 |
| 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 |
| 9599231 | 10.1021/jm970406v | Estrogen receptor | 1 |
| 17696419 | 10.1021/jm070405v | DU-145 | 1 |
| 17696419 | 10.1021/jm070405v | MDA-MB-231 | 1 |
| 17696419 | 10.1021/jm070405v | MCF7 | 1 |
| 26469743 | 10.1016/j.ejmech.2015.09.038 | Aromatase | 1 |
| 27687674 | 10.1016/j.bmcl.2016.09.046 | Cytochrome P450 1B1 | 1 |
Data from ChEMBL 36 via Core Engine