Compound Detail
CHEMBL4755980
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CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(C(=O)c4cc5cc(O)ccc5o4)cc3c2)no1
Basic Information
| ChEMBL ID | CHEMBL4755980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDLPFNWFWDSNMJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
5.78
ALogP
6
HBA
4
HBD
133.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.96 | 7.29 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 0.78 | nM | 9.11 | Cytotoxicity against human MV4-11 cells assessed as reduction in cell viability ... | 32199135 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presenc... | 32199135 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in prese... | 32199135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32199135 | 10.1016/j.ejmech.2020.112232 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 32199135 | 10.1016/j.ejmech.2020.112232 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine