Compound Detail
CHEMBL4784484
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CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3c(N)c(C(N)=O)c4nc5ccccc5nc43)cc2)n(-c2ccc3ncccc3c2)n1
Basic Information
| ChEMBL ID | CHEMBL4784484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCNDYGMHSHSKIW-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
610.7
MW (Da)
5.93
ALogP
9
HBA
4
HBD
171.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.6
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JeKo-1 CHEMBL4296445 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Maver1 CHEMBL4483260 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 4 |
| Ephrin type-B receptor 4 CHEMBL5147 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human SU-DHL-2 cells incubated for 72 hrs | 33479666 |
| Maver1 | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human MAVER-1 cells incubated for 72 hrs | 33479666 |
| JeKo-1 | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human Jeko-1 cells incubated for 72 hrs | 33479666 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human MEC-1 cells incubated for 72 hrs | 33479666 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human PCL12 cells incubated for 72 hrs | 33479666 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Growth inhibition of human Ri1 cells incubated for 72 hrs | 33479666 |
| Ephrin type-B receptor 4 | EC50 | = | 1100.0 | nM | 5.96 | Inhibition of full-length human EPHB4 expressed in MEF cells assessed as autopho... | 33479666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479666 | 10.1039/d0md00049c | Unchecked | 5 |
| 33479666 | 10.1039/d0md00049c | Ephrin type-A receptor 3 | 1 |
| 33479666 | 10.1039/d0md00049c | Ephrin type-B receptor 4 | 1 |
| 33479666 | 10.1039/d0md00049c | Maver1 | 1 |
| 33479666 | 10.1039/d0md00049c | JeKo-1 | 1 |
| 33479666 | 10.1039/d0md00049c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine