Compound Detail
CHEMBL1728000
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Basic Information
| ChEMBL ID | CHEMBL1728000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLCLTWOJAKGEJW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.28
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO E1/E2 CHEMBL3137290 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 4.92 | 4.83 | 12100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.23 | 58900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO E1/E2 | IC50 | = | 6500.0 | nM | 5.19 | PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 12100.0 | nM | 4.92 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of Mint-PDZ and N-ty... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 18100.0 | nM | 4.74 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of Mint-PDZ and N-ty... | - |
| Unchecked | IC50 | = | 58900.0 | nM | 4.23 | PUBCHEM_BIOASSAY: SAR analysis of Ubc13-Ubiquitination selectivity in a TR-FRET ... | - |
Data from ChEMBL 36 via Core Engine