Compound Detail
CHEMBL126455
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Basic Information
| ChEMBL ID | CHEMBL126455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMQXAKPZSBCIT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
0.91
ALogP
4
HBA
0
HBD
42.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.02
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 960.0 | nM | 6.02 | Cytotoxic activity against non-small cell lung cancer cell line (NSCLC) H460 was... | 9871615 |
| NCI-H460 | IC50 | = | 960.0 | nM | 6.02 | Cytotoxicity was measured on non-small cell lung cancer(NSCLC) in H460 cell line... | 9822546 |
| V79 | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory concentration required to kill 50% of the cells was evaluated under a... | 7966141 |
| V79 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration required to kill 50% of the cells was evaluated under a... | 7966141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966141 | 10.1021/jm00048a019 | V79 | 3 |
| 9822546 | 10.1021/jm980328r | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Homo sapiens | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H460 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H596 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Unchecked | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H460 | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H596 | 1 |
| 9822546 | 10.1021/jm980328r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine