Compound Detail
CHEMBL306476
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
Basic Information
| ChEMBL ID | CHEMBL306476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIZCHNVUQBBGKK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.81
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| RPMI 8402 CHEMBL612517 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 5.52 | 2500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against mouse P388 cells by MTT method | 19012996 |
| RPMI 8402 | IC50 | = | 1250.0 | nM | 5.9 | Cytotoxic activity against human lymphoblast tumor cell line RPMI8402 after 4 da... | 12747798 |
| RPMI-8226 | IC50 | = | 1250.0 | nM | 5.9 | Cytotoxicity against human RPMI8226 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against multidrug resistant human KBV1 cells overexpressing MDR1 by... | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against human KB3-1 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against multidrug resistant human KBH5.0 cells overexpressing BCRP ... | 19012996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19012996 | 10.1016/j.ejmech.2008.09.048 | NON-PROTEIN TARGET | 3 |
| 12747798 | 10.1021/jm020498a | DNA topoisomerase 1 | 1 |
| 12747798 | 10.1021/jm020498a | RPMI 8402 | 1 |
| 12747798 | 10.1021/jm020498a | NON-PROTEIN TARGET | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | P388 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | RPMI-8226 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine