Compound Detail
CHEMBL9184
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Basic Information
| ChEMBL ID | CHEMBL9184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCNIKEFATSKIBE-NSCUHMNNSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
1.99
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.22 | 4.22 | 60000.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.18 | 4.18 | 66069.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of M-CSF/RANKL-induced osteoclast differentiation in C57BL/6 mouse bo... | 31257875 |
| K562 | IC50 | = | 60000.0 | nM | 4.22 | Compound was evaluated for cytotoxic activity against K562 human chronic myeloge... | 9871706 |
| K562 | IC50 | = | 60000.0 | nM | 4.22 | In vitro cell growth inhibitory activity against K562 human chronic myelogenous ... | - |
| Oryctolagus cuniculus | IC50 | = | 66069.34 | nM | 4.18 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 21500839 | 10.1021/jm200149e | Unchecked | 2 |
| 25313922 | 10.1021/np500396y | HT-22 | 2 |
| 31257875 | 10.1021/acs.jmedchem.9b00270 | MC3T3-E1 | 2 |
| 12161116 | 10.1016/s0960-894x(02)00428-6 | Escherichia coli | 1 |
| 9871706 | 10.1016/s0960-894x(98)00162-0 | K562 | 1 |
| - | 10.1016/S0960-894X(97)10147-0 | K562 | 1 |
| 11277741 | 10.1021/np000496y | NON-PROTEIN TARGET | 1 |
| 11277741 | 10.1021/np000496y | HT-1080 | 1 |
| 21500839 | 10.1021/jm200149e | Plasmodium falciparum | 1 |
| 31257875 | 10.1021/acs.jmedchem.9b00270 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine