Compound Detail
CHEMBL5848200
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Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
Basic Information
| ChEMBL ID | CHEMBL5848200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXKOUQAVNYMLFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
571.7
MW (Da)
7.21
ALogP
8
HBA
3
HBD
114.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 | IC50 | = | 0.6 | nM | 9.22 | Enzyme-linked immunosorbent assay (ELISA): Enzyme reaction substrate Poly(Glu, T... | - |
Data from ChEMBL 36 via Core Engine