Compound Detail
CHEMBL3923175
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CCS(=O)(=O)c1cc(Nc2ncc(F)c(N(Cc3ccccc3C#N)c3cc(CO)ccc3C)n2)ccc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL3923175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPFLVPJXKWCRQK-UHFFFAOYSA-N |
9
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
629.8
MW (Da)
4.92
ALogP
10
HBA
2
HBD
125.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 9.48
Kd 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | Kd | 9.55 | 9.55 | 0.3 | 1 |
| Serine/threonine-protein kinase PAK 2 CHEMBL4487 | Kd | 9.49 | 9.49 | 0.3 | 1 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 9.48 | 8.355 | 0.3 | 2 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase PAK 2 CHEMBL4487 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine