Compound Detail
CHEMBL119931
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Basic Information
| ChEMBL ID | CHEMBL119931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMZQHHOCNWTNY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
238.7
MW (Da)
0.49
ALogP
4
HBA
0
HBD
40.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 76.0 | nM | 7.12 | In vitro cytotoxicity tested against human chronic leukemia K562 cells | 9022802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576915 | 10.1021/jm9405147 | ADMET | 3 |
| 8576915 | 10.1021/jm9405147 | L1210 | 2 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 2 |
| - | 10.1007/s00044-006-0010-4 | L1210 | 2 |
| 9022802 | 10.1021/jm960492j | K562 | 1 |
| 8576915 | 10.1021/jm9405147 | B16 | 1 |
| 8576915 | 10.1021/jm9405147 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-006-0010-4 | B16 | 1 |
Data from ChEMBL 36 via Core Engine