Compound Detail
CHEMBL3330507
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Basic Information
| ChEMBL ID | CHEMBL3330507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEUPPIWYNQRURY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
376.9
MW (Da)
5.14
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.98 | 4.98 | 10520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10520.0 | nM | 4.98 | Cytotoxicity against mouse B16F10 cells assessed as inhibition of proliferation ... | 25180925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25180925 | 10.1016/j.ejmech.2014.08.010 | NON-PROTEIN TARGET | 2 |
| 29126726 | 10.1016/j.ejmech.2017.10.041 | SW-620 | 2 |
| 29126726 | 10.1016/j.ejmech.2017.10.041 | SW620/AD300 | 2 |
| 25180925 | 10.1016/j.ejmech.2014.08.010 | MCF7 | 1 |
| 25180925 | 10.1016/j.ejmech.2014.08.010 | MGC-803 | 1 |
| 25610955 | 10.1021/acs.jmedchem.5b00037 | Lysine-specific histone demethylase 1A | 1 |
| 29126726 | 10.1016/j.ejmech.2017.10.041 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine