Compound Detail
CHEMBL5924215
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C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(-c2ccc3cnc(Cc4cnn(C5CC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL5924215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQTUCMPNTYNTJF-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
581.6
MW (Da)
7.81
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 | IC50 | = | 108.0 | nM | 6.97 | Enzyme-linked immunosorbent assay (ELISA): Enzyme reaction substrate Poly(Glu, T... | - |
Data from ChEMBL 36 via Core Engine