Compound Detail
CHEMBL5942048
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N#Cc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3[C@@H](N)C4)ccc2-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)cc1F
Basic Information
| ChEMBL ID | CHEMBL5942048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMFLWFHCMOTFPL-RAHIQWLESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
575.1
MW (Da)
5.55
ALogP
7
HBA
2
HBD
104.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 10.03 | 10.03 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 0.093 | nM | 10.03 | Inhibitory Activity (In Vitro): The conditions for measuring inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine