Compound Detail
CHEMBL3703705
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COc1cccc(F)c1CN1CCC[C@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1
Basic Information
| ChEMBL ID | CHEMBL3703705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVXUHZBHADDLFR-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.26
ALogP
6
HBA
3
HBD
108.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL2207 | IC50 | 7.44 | 7.44 | 36.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 36.63 | nM | 7.44 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
Data from ChEMBL 36 via Core Engine