Compound Detail
CHEMBL307158
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Basic Information
| ChEMBL ID | CHEMBL307158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKKZNLRWNSUNBW-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.51
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| RAW CHEMBL614631 | IC50 | 4.32 | 4.32 | 48200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 15000.0 | nM | 4.82 | Compound was tested for inhibition of cell growth of P-388 cells | - |
| A549 | IC50 | = | 15000.0 | nM | 4.82 | Compound was tested for inhibition of cell growth of A-549 cells | - |
| HT-29 | IC50 | = | 15000.0 | nM | 4.82 | Compound was tested for inhibition of cell growth of HT-29 cells | - |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Compound was tested for inhibition of cell growth of MEL-28 cells | - |
| L1210 | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against mouse L1210 cells after 24 hrs | 3404149 |
| RAW | IC50 | = | 48200.0 | nM | 4.32 | Inhibition of LPS and TNF-alpha-activated NO production in murine RAW 264.7 cell... | 17253844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3404149 | 10.1021/np50057a011 | Unchecked | 4 |
| 3404149 | 10.1021/np50057a011 | L1210 | 2 |
| - | 10.1016/0960-894X(95)00008-H | P388 | 1 |
| - | 10.1016/0960-894X(95)00008-H | A549 | 1 |
| - | 10.1016/0960-894X(95)00008-H | HT-29 | 1 |
| - | 10.1016/0960-894X(95)00008-H | Unchecked | 1 |
| 17253844 | 10.1021/np060449r | Radical scavenging activity | 1 |
| 17253844 | 10.1021/np060449r | NON-PROTEIN TARGET | 1 |
| 17253844 | 10.1021/np060449r | RAW | 1 |
| 26453007 | 10.1016/j.bmcl.2015.09.064 | Unchecked | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | NCI-H23 | 1 |
Data from ChEMBL 36 via Core Engine