Compound Detail
CHEMBL4757198
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O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL4757198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGSPOGHKPCDFAJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
7.10
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.0 | 7.19 | 10.0 | 2 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.09 | 7.09 | 81.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10.0 | nM | 8.0 | Induction of chondrogenesis in human MSC assessed as incubated for 6 days by rho... | - |
| Dual specificity protein kinase CLK2 | EC50 | = | 15.0 | nM | 7.82 | Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 81.0 | nM | 7.09 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
| Dual specificity protein kinase CLK3 | EC50 | = | 158.0 | nM | 6.8 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
| Unchecked | EC50 | = | 418.0 | nM | 6.38 | Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera... | - |
Data from ChEMBL 36 via Core Engine