Compound Detail
CHEMBL1214132
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Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c4ccccc34)ccnc2[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1214132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWOFQUMBWYKHFL-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.6
MW (Da)
6.70
ALogP
7
HBA
3
HBD
126.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.1 | 7.635 | 8.0 | 2 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 3.0 | nM | 8.52 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
| Tyrosine-protein kinase HCK | IC50 | = | 3.0 | nM | 8.52 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7.0 | nM | 8.15 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 8.0 | nM | 8.1 | Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human WM266.4 ce... | 20597484 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 67.0 | nM | 7.17 | Inhibition of B-Raf V600E mutant | 20597484 |
| Mitogen-activated protein kinase 12 | IC50 | = | 100.0 | nM | 7.0 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20597484 | 10.1021/jm100383b | Serine/threonine-protein kinase B-raf | 2 |
| 20597484 | 10.1021/jm100383b | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine