Compound Detail
CHEMBL5428907
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CCOc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5428907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQHJDZWXLVUSBJ-HSZRJFAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.1
MW (Da)
5.19
ALogP
9
HBA
1
HBD
84.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.2 | nM | 9.7 | Antiproliferative activity against human ASK120067-resistant NCI-H1975 cells ove... | 37134203 |
| Activated CDC42 kinase 1 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of N-terminal His6-tagged ACK1 (117 to 389 residues) (unknown origin)... | 37134203 |
| NCI-H1975 | IC50 | = | 1.44 | nM | 8.84 | Antiproliferative activity against human NCI-H1975 cells assessed as cell growth... | 37134203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37134203 | 10.1021/acs.jmedchem.3c00319 | Activated CDC42 kinase 1 | 1 |
| 37134203 | 10.1021/acs.jmedchem.3c00319 | Unchecked | 1 |
| 37134203 | 10.1021/acs.jmedchem.3c00319 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine