Compound Detail
CHEMBL5829443
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N#Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H](N)C3)nn2-c2ccc(N3CCCC3)cc2F)cc1F
Basic Information
| ChEMBL ID | CHEMBL5829443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWDKEYBLYZXFEI-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.24
ALogP
6
HBA
1
HBD
91.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 46.0 | nM | 7.34 | Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... | - |
Data from ChEMBL 36 via Core Engine