Compound Detail
CHEMBL4744530
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O=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL4744530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFCGCLZYGBXDNP-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
5.28
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.52
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.4 | 7.92 | 4.0 | 2 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.44 | 7.22 | 36.4 | 2 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.03 | 7.03 | 93.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine