Compound Detail
CHEMBL255068
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Basic Information
| ChEMBL ID | CHEMBL255068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVTBJOBSMVRHJS-MDWZMJQESA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.91
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.0
EC50 1 meas. best 4.58
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human SK-N-MC cells by MTT assay | 19601577 |
| ADMET | IC50 | = | 22660.0 | nM | 4.64 | Antiproliferative activity against human SK-MN-C cells by MTT assay | 18159922 |
| Unchecked | EC50 | = | 26380.0 | nM | 4.58 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 42798.0 | nM | 4.37 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 65500.0 | nM | 4.18 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 71550.0 | nM | 4.14 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159922 | 10.1021/jm7012562 | ADMET | 1 |
| 19601577 | 10.1021/jm900552r | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine