Compound Detail
CHEMBL4517370
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C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4517370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSPPKKGHYMLVJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.1
MW (Da)
6.05
ALogP
8
HBA
4
HBD
114.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.65 | 6.65 | 226.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 226.0 | nM | 6.65 | Inhibition of recombinant human His-tagged full length SRC expressed in baculovi... | 31935084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine