Compound Detail
CHEMBL4585974
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Cc1cc(NC(=O)c2ccc3c(c2)C[C@H](N(C)c2cncnc2)C3)cc(-n2cnc(C)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4585974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQWWBIZSQCPIGP-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.14
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 6.2 | 6.2 | 638.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epithelial discoidin domain-containing receptor 1 | IC50 | = | 638.9 | nM | 6.2 | Inhibition of GST-tagged recombinant human DDR1 (440 to 876 amino acids) express... | 31310125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31310125 | 10.1021/acs.jmedchem.9b00365 | Epithelial discoidin domain-containing receptor 1 | 1 |
| 31310125 | 10.1021/acs.jmedchem.9b00365 | Discoidin domain-containing receptor 2 | 1 |
| 31310125 | 10.1021/acs.jmedchem.9b00365 | High affinity nerve growth factor receptor | 1 |
| 31310125 | 10.1021/acs.jmedchem.9b00365 | BDNF/NT-3 growth factors receptor | 1 |
| 31310125 | 10.1021/acs.jmedchem.9b00365 | NT-3 growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine