Compound Detail
CHEMBL1363955
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Basic Information
| ChEMBL ID | CHEMBL1363955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHROHCATXCVVOE-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.82
ALogP
5
HBA
1
HBD
72.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.95
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.43 | 2358.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.06 | 4140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 1120.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | EC50 | = | 2358.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 4140.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | EC50 | = | 5869.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 11400.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | IC50 | = | 13800.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
Data from ChEMBL 36 via Core Engine