Compound Detail
CHEMBL1171364
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Basic Information
| ChEMBL ID | CHEMBL1171364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVEOFOQULTXCSE-NVNXTCNLSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.02
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.85 | 5.33 | 1400.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 5.7 | 4.82 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of N-terminal GST-His-tagged c-KIT (544 to 976 amino acids) D816V mut... | 26807861 |
| RAW264.7 | IC50 | = | 2000.0 | nM | 5.7 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 15600.0 | nM | 4.81 | Inhibition of wild type His-tagged c-KIT (544 to 976 amino acids) (unknown origi... | 26807861 |
| RAW264.7 | IC50 | = | 23510.0 | nM | 4.63 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 74840.0 | nM | 4.13 | Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26807861 | 10.1021/acs.jnatprod.5b00851 | Mast/stem cell growth factor receptor Kit | 4 |
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | SARS-CoV-2 | 2 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | Calu-3 | 2 |
| 25768702 | 10.1016/j.ejmech.2015.02.055 | Acetylcholinesterase | 1 |
| 25768702 | 10.1016/j.ejmech.2015.02.055 | Cholinesterase | 1 |
| 26807861 | 10.1021/acs.jnatprod.5b00851 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine