Compound Detail
CHEMBL4746032
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1
Basic Information
| ChEMBL ID | CHEMBL4746032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIUXTJXMIALOMI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.94
ALogP
5
HBA
3
HBD
112.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.0 | 6.86 | 10.0 | 2 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
| Dual specificity protein kinase CLK2 | EC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... | - |
| 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 CLK3 | EC50 | = | 56.0 | nM | 7.25 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
| Unchecked | EC50 | = | 1890.0 | nM | 5.72 | Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera... | - |
Data from ChEMBL 36 via Core Engine