Compound Detail
CHEMBL299270
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CC(C)/N=C(/Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl)NC(C)C
Basic Information
| ChEMBL ID | CHEMBL299270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REFGSJLMEHGIDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.6
MW (Da)
5.22
ALogP
7
HBA
3
HBD
93.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 850.0 | nM | 6.07 | Ability to prevent phosphorylation of avian c-Src TK | 11384237 |
| Fibroblast growth factor receptor 1 | IC50 | = | 2500.0 | nM | 5.6 | Ability to prevent phosphorylation of human fibroblast growth factor receptor 1 | 11384237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384237 | 10.1021/jm0004291 | Platelet-derived growth factor receptor beta | 1 |
| 11384237 | 10.1021/jm0004291 | Fibroblast growth factor receptor 1 | 1 |
| 11384237 | 10.1021/jm0004291 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine