Compound Detail
CHEMBL4464612
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COC(=O)CCNC(=O)c1cc2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1
Basic Information
| ChEMBL ID | CHEMBL4464612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZNMUDGNQNHBSQ-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
763.8
MW (Da)
5.27
ALogP
12
HBA
3
HBD
182.6
PSA (Ų)
0.11
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAMALVA CHEMBL614049 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAMALVA | IC50 | = | 0.01 | nM | 11.0 | Cytotoxicity against human NAMALWA cells assessed as reduction in cell viability... | 31350125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31350125 | 10.1016/j.bmcl.2019.07.031 | NAMALVA | 1 |
Data from ChEMBL 36 via Core Engine