Compound Detail
CHEMBL5945736
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Cc1c(-c2cc3cc(NC(=O)N[C@H](C)c4cnn(C)c4)ncc3c(N)c2F)cnc2c1NCCO2
Basic Information
| ChEMBL ID | CHEMBL5945736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICWKLWHBCCIDQK-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.75
ALogP
8
HBA
4
HBD
132.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | Ki | 10.89 | 10.89 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | Ki | = | 0.013 | nM | 10.89 | HPK1-FL HTRF Enzymatic Assay: To a 384 well Proxiplate with 80 nL compound or DM... | - |
Data from ChEMBL 36 via Core Engine