Compound Detail
CHEMBL5847735
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CS(=O)(=O)N1CCN(C(=O)[C@H](CCCCN[C@H]2C[C@@H]2c2ccc(F)cc2)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5847735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBTSIHOWWLSSAX-AYQJTBPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
4.15
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4000.0 | nM | 5.4 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
Data from ChEMBL 36 via Core Engine