Compound Detail
CHEMBL1454614
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Basic Information
| ChEMBL ID | CHEMBL1454614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVPOLUKPMAOAN-UHFFFAOYSA-N |
8
Targets
20
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.13
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 5.99
EC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.99 | 5.945 | 1020.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 4.805 | 1530.0 | 6 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.59 | 5.59 | 2546.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.16 | 5.1067 | 6880.0 | 3 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.15 | 5.15 | 7070.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.06 | 5.06 | 8787.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.02 | 4.96 | 9463.5 | 3 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine