Compound Detail
CHEMBL4442023
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CC[C@]1(NC(=O)N2Cc3ccc(NC(=O)c4ccncn4)cc3C2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
Basic Information
| ChEMBL ID | CHEMBL4442023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTTKAKQHNXDUHD-JKQLJTASSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1076.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 10.21 | 10.21 | 0.1 | 1 |
| HCT-116 CHEMBL394 | IC50 | 10.13 | 10.13 | 0.1 | 1 |
| HCT-116/VM46 CHEMBL614575 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.062 | nM | 10.21 | Growth inhibition of mouse L1210 cells measured after 72 hrs by phosphatase assa... | 30952593 |
| HCT-116 | IC50 | = | 0.074 | nM | 10.13 | Growth inhibition of human HCT116 cells measured after 72 hrs by phosphatase ass... | 30952593 |
| HCT-116/VM46 | IC50 | = | 0.88 | nM | 9.06 | Growth inhibition of human HCT116/VM46 cells measured after 72 hrs by phosphatas... | 30952593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30952593 | 10.1016/j.bmcl.2019.03.036 | Unchecked | 7 |
| 30952593 | 10.1016/j.bmcl.2019.03.036 | Tubulin | 1 |
| 30952593 | 10.1016/j.bmcl.2019.03.036 | L1210 | 1 |
| 30952593 | 10.1016/j.bmcl.2019.03.036 | HCT-116 | 1 |
| 30952593 | 10.1016/j.bmcl.2019.03.036 | HCT-116/VM46 | 1 |
| 30952593 | 10.1016/j.bmcl.2019.03.036 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine