Compound Detail
CHEMBL5277669
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CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL5277669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAUJLFPWRFHSNE-QOTBBMECSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
891.1
MW (Da)
6.91
ALogP
9
HBA
4
HBD
166.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) CHEMBL614194 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human Panel NCI-60 (60 carcinoma cell lines) ... | 36507721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36507721 | 10.1021/acs.jmedchem.2c01633 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine