Compound Detail
CHEMBL138039
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
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(O)C4=O)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL138039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAQRFDFZQIYNMK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
586.4
MW (Da)
3.35
ALogP
9
HBA
5
HBD
157.5
PSA (Ų)
0.16
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| B16 CHEMBL381 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against P388 Murine Leukemia cells | 8893841 |
| B16 | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against B16 mouse melanoma cells | 8893841 |
| Protein kinase C alpha type | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of Protein Kinase C(PKC) | 8893841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893841 | 10.1021/jm9603779 | Protein kinase C alpha type | 1 |
| 8893841 | 10.1021/jm9603779 | Unchecked | 1 |
| 8893841 | 10.1021/jm9603779 | B16 | 1 |
| 8893841 | 10.1021/jm9603779 | P388 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 1 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 2-beta | 1 |
| 8893841 | 10.1021/jm9603779 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine