Compound Detail
CHEMBL522149
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Basic Information
| ChEMBL ID | CHEMBL522149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHTFXWJJXGPZFB-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.79
ALogP
6
HBA
1
HBD
75.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.8 | 7.16 | 16.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.6 | 6.9 | 25.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 16.0 | nM | 7.8 | Cytotoxicity against mouse P388 cells after 4 days by MTT method | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human RPMI8402 cells after 4 days by MTT method | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against human KB3-1 cells after 4 days by MTT method | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against BCRP overexpressing human KBH5.0 cells after 4 days by MTT ... | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 250.0 | nM | 6.6 | Cytotoxicity against camptothecin-resistant human CPT-K5 cells after 4 days by M... | 19303306 |
| P388 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against camptothecin-resistant mouse P388 cells after 4 days by MTT... | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against MDR1 overexpressing human KBV1 cells after 4 days by MTT me... | 19303306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19303306 | 10.1016/j.bmc.2009.02.023 | NON-PROTEIN TARGET | 5 |
| 19303306 | 10.1016/j.bmc.2009.02.023 | P388 | 2 |
| 19303306 | 10.1016/j.bmc.2009.02.023 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine