Compound Detail
CHEMBL1707169
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Basic Information
| ChEMBL ID | CHEMBL1707169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFTFDBZTSJXMRZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
93.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.16 | 6.16 | 693.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.13 | 5.13 | 7323.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 693.0 | nM | 6.16 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Unchecked | IC50 | = | 7323.0 | nM | 5.13 | PUBCHEM_BIOASSAY: SAR selectivity analysis of spectral interference of small mol... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 22300.0 | nM | 4.65 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of Mint-PDZ and N-ty... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386982 | 10.1016/j.bmc.2012.02.022 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | A549 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | ASPC1 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | HT-29 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | MDA-MB-231 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | PC-3 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | SK-OV-3 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine