Compound Detail
CHEMBL266634
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CC(=O)O.CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)C3C45CCN4CC=C[C@](CC)(C45)[C@@H](OC(=O)[C@@H]4CCCN4C(=O)[C@@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]4CC(O)CN4C(C)=O)C4CCCCC4)[C@]3(O)C(=O)OC)C2)C1
Basic Information
| ChEMBL ID | CHEMBL266634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIIHIWKTKDQMSK-DDQIYRLBSA-N |
| Parent Compound | CHEMBL1182790 |
| Active Moiety | CHEMBL1182790 |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1636.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.8
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | EC50 | = | 1600.0 | nM | 5.8 | In vitro concentration required to kill 50% of LNCaP human prostate cancer cell ... | 12361397 |
| COLO 320 | EC50 | = | 14000.0 | nM | 4.85 | In vitro concentration required to kill 50% of COLO 320 human colorectal carcino... | 12361397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361397 | 10.1021/jm020139f | LNCaP | 2 |
| 12361397 | 10.1021/jm020139f | Mus musculus | 2 |
| 12361397 | 10.1021/jm020139f | COLO 320 | 1 |
| 12361397 | 10.1021/jm020139f | T47D | 1 |
| 12361397 | 10.1021/jm020139f | Unchecked | 1 |
| 12361397 | 10.1021/jm020139f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine