Compound Detail
CHEMBL2386416
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Basic Information
| ChEMBL ID | CHEMBL2386416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAQPUHTZPOQXOC-BGPOSVGRSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.74
ALogP
4
HBA
3
HBD
69.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 6.7 | 6.43 | 200.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 6.53 | 200.0 | 2 |
| L1210 CHEMBL386 | IC50 | 6.52 | 6.08 | 300.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 5.38 | 5.38 | 4190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against human NB4 cells assessed as reduction in cell viability aft... | 24960549 |
| B16 | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against mouse B16 cells assessed as cell growth inhib... | 32172081 |
| L1210 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against mouse L1210 cells assessed as inhibition of c... | 32172081 |
| NON-PROTEIN TARGET | IC50 | = | 440.0 | nM | 6.36 | Cytotoxicity against human NB4-R1 cells assessed as reduction in cell viability ... | 24960549 |
| B16 | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against Mus musculus (mouse) B16 cells assessed as growth inhibitio... | - |
| L1210 | IC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against Mus musculus (mouse) L1210 cells assessed as growth inhibit... | - |
| RAW264.7 | IC50 | = | 4190.0 | nM | 5.38 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23611769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25442312 | 10.1016/j.bmcl.2014.09.074 | ADMET | 7 |
| 25442312 | 10.1016/j.bmcl.2014.09.074 | MDCK | 6 |
| 23611769 | 10.1016/j.bmc.2013.03.057 | RAW264.7 | 3 |
| 24960549 | 10.1021/jm401352a | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-013-0557-9 | L1210 | 1 |
| - | 10.1007/s00044-013-0557-9 | B16 | 1 |
| 25442312 | 10.1016/j.bmcl.2014.09.074 | Caco-2 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | B16 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine