Compound Detail
CHEMBL3671315
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COC1c2cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc3cc2C(=O)N1c1cccnc1
Basic Information
| ChEMBL ID | CHEMBL3671315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSDSJOCXJMWGST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
578.5
MW (Da)
5.22
ALogP
6
HBA
3
HBD
116.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.38 | 7.38 | 41.6 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 6.76 | 6.76 | 174.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 41.61 | nM | 7.38 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 174.4 | nM | 6.76 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine