Compound Detail
CHEMBL5188880
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Cc1c(CNc2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
Basic Information
| ChEMBL ID | CHEMBL5188880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXJQTKYZRWTJDA-OVCLIPMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
6.91
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 2920.0 | nM | 5.54 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 35640078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640078 | 10.1021/acs.jmedchem.2c00077 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 35640078 | 10.1021/acs.jmedchem.2c00077 | A549 | 1 |
| 35640078 | 10.1021/acs.jmedchem.2c00077 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine