Compound Detail
CHEMBL6031079
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CCN1CCN(Cc2cc(C(C)NC(=O)c3ccc(C4CC4)c(-c4ccc5nc(Nc6cnn(C7CC7)c6)ncc5c4)c3)cc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL6031079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXIIMHJHEMZKNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
708.8
MW (Da)
8.10
ALogP
8
HBA
2
HBD
91.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Enzyme-linked immunosorbent assay (ELISA): Enzyme reaction substrate Poly(Glu, T... | - |
Data from ChEMBL 36 via Core Engine