Compound Detail
CHEMBL502241
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Cc1cccc2c(Nc3cc(COC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc(NC(=O)OC(C)(C)C)c3)c3ccccc3nc12
Basic Information
| ChEMBL ID | CHEMBL502241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMPATCLARQCDAU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
688.7
MW (Da)
9.82
ALogP
7
HBA
3
HBD
104.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.12
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 750.0 | nM | 6.12 | Cytotoxicity against human CCRF-CEM cells after 72 hrs by XTT assay | 19124250 |
| CCRF-CEM | IC50 | = | 1416.0 | nM | 5.85 | Cytotoxicity against vinblastine-resistant human CCRF-CEM cells after 72 hrs by ... | 19124250 |
| HCT-116 | IC50 | = | 2403.0 | nM | 5.62 | Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay | 19124250 |
| CCRF-CEM | IC50 | = | 3358.0 | nM | 5.47 | Cytotoxicity against taxol-resistant human CCRF-CEM cells after 72 hrs by XTT as... | 19124250 |
| MX1 | IC50 | = | 5933.0 | nM | 5.23 | Cytotoxicity against human MX1 cells after 72 hrs by SRB assay | 19124250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19124250 | 10.1016/j.bmc.2008.12.022 | CCRF-CEM | 5 |
| 19124250 | 10.1016/j.bmc.2008.12.022 | HCT-116 | 1 |
| 19124250 | 10.1016/j.bmc.2008.12.022 | MX1 | 1 |
Data from ChEMBL 36 via Core Engine