Compound Detail
CHEMBL5782469
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C[C@@H]1CN(c2cc(=O)[nH]c(N3CCCCC[C@@H]3Cc3ccccc3)n2)C[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL5782469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKBPOSYELWTRDI-QWFCFKBJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.38
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 7.5 | nM | 8.12 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
Data from ChEMBL 36 via Core Engine