Compound Detail
CHEMBL4544619
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COC(=O)c1nc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@@H]3C[C@@]123
Basic Information
| ChEMBL ID | CHEMBL4544619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMHUJJOTKPWFTJ-APXPCNQMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
2.20
ALogP
8
HBA
2
HBD
135.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2.2 | nM | 8.66 | Cytotoxicity against mouse L1210 cells assessed as cell growth inhibition | 27221071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27221071 | 10.1016/j.bmc.2016.04.050 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine