Compound Detail
CHEMBL309355
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 | CHEMBL309355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYOATKVUABBMMF-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
2.90
ALogP
8
HBA
0
HBD
99.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI 8402 CHEMBL612517 | IC50 | 8.7 | 8.61 | 2.0 | 2 |
| RPMI-8226 CHEMBL614882 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.4 | 7.6375 | 4.0 | 4 |
| P388 CHEMBL389 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI 8402 | IC50 | = | 2.0 | nM | 8.7 | Cytotoxic activity against human lymphoblast tumor cell line RPMI8402 after 4 da... | 12747798 |
| RPMI-8226 | IC50 | = | 2.0 | nM | 8.7 | Cytotoxicity against human RPMI8226 cells by MTT method | 19012996 |
| RPMI 8402 | IC50 | = | 3.0 | nM | 8.52 | Cytotoxicity against human RPMI 8402 cells assessed as cell growth inhibition me... | 35413618 |
| NON-PROTEIN TARGET | IC50 | = | 4.0 | nM | 8.4 | Cytotoxicity against multidrug resistant human KBV1 cells overexpressing MDR1 by... | 19012996 |
| P388 | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against mouse P388 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against human KB3-1 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against multidrug resistant human KBH5.0 cells overexpressing BCRP ... | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxic activity against human lymphoblast tumor cell line CPT-K5 after 4 days... | 12747798 |
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 | RPMI-8226 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | P388 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | Unchecked | 1 |
| 35413618 | 10.1016/j.ejmech.2022.114304 | RPMI 8402 | 1 |
Data from ChEMBL 36 via Core Engine