Compound Detail
CHEMBL4567077
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Basic Information
| ChEMBL ID | CHEMBL4567077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZKBXDHRLNXRAB-LFYBBSHMSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.09
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 900.0 | nM | 6.05 | Cytotoxicity against human A2780 cells incubated for 72 hrs by MTT assay | 27336684 |
| SW480 | IC50 | = | 2510.0 | nM | 5.6 | Cytotoxicity against human SW480 cells incubated for 72 hrs by MTT assay | 27336684 |
| KB 3-1 | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human KB-3-1 cells incubated for 72 hrs by MTT assay | 27336684 |
| SW480 | IC50 | = | 9500.0 | nM | 5.02 | Cytotoxicity against triapine-resistant human SW480 cells incubated for 72 hrs b... | 27336684 |
| Unchecked | IC50 | = | 20900.0 | nM | 4.68 | Cytotoxicity against human KBC1 cells incubated for 72 hrs by MTT assay | 27336684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27336684 | 10.1021/acs.jmedchem.6b00342 | SW480 | 4 |
| 27336684 | 10.1021/acs.jmedchem.6b00342 | Unchecked | 2 |
| 27336684 | 10.1021/acs.jmedchem.6b00342 | No relevant target | 1 |
| 27336684 | 10.1021/acs.jmedchem.6b00342 | A2780 | 1 |
| 27336684 | 10.1021/acs.jmedchem.6b00342 | KB 3-1 | 1 |
| 27336684 | 10.1021/acs.jmedchem.6b00342 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine