Compound Detail
CHEMBL4745435
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CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1
Basic Information
| ChEMBL ID | CHEMBL4745435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGGJRLHZYPDRAG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.45
ALogP
6
HBA
3
HBD
108.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 6.54 | 6.54 | 292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | EC50 | = | 4.0 | nM | 8.4 | 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 tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 18.0 | nM | 7.75 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
| Dual specificity protein kinase CLK3 | EC50 | = | 292.0 | nM | 6.54 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
Data from ChEMBL 36 via Core Engine