Compound Detail
CHEMBL72536
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Basic Information
| ChEMBL ID | CHEMBL72536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCWJMKCTHJPXJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
-0.46
ALogP
4
HBA
0
HBD
40.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.08 | 8.065 | 8.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 8.3 | nM | 8.08 | In vitro cytotoxicity tested against human chronic leukemia K562 cells | 9022802 |
| K562 | IC50 | = | 9.0 | nM | 8.05 | In vitro cytotoxicity against Human Chronic Leukemia K562 cells | 8558523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576915 | 10.1021/jm9405147 | ADMET | 4 |
| 10377230 | 10.1021/jm991007y | Nucleic Acid | 2 |
| - | 10.1007/s00044-006-0010-4 | L1210 | 2 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 2 |
| 8576915 | 10.1021/jm9405147 | NON-PROTEIN TARGET | 2 |
| 8576915 | 10.1021/jm9405147 | L1210 | 2 |
| 8558523 | 10.1021/jm950629q | Nucleic Acid | 2 |
| 10377230 | 10.1021/jm991007y | HT-29 | 1 |
| 10377230 | 10.1021/jm991007y | BE | 1 |
| 10377230 | 10.1021/jm991007y | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 10377230 | 10.1021/jm991007y | Unchecked | 1 |
| 9022802 | 10.1021/jm960492j | K562 | 1 |
| 10377230 | 10.1021/jm991007y | NCI-H596 | 1 |
| 8576915 | 10.1021/jm9405147 | B16 | 1 |
| 10377230 | 10.1021/jm991007y | NCI-H460 | 1 |
| 8576915 | 10.1021/jm9405147 | Fungi | 1 |
| 8576915 | 10.1021/jm9405147 | Nucleic Acid | 1 |
| 8558523 | 10.1021/jm950629q | K562 | 1 |
| - | 10.1007/s00044-006-0010-4 | Rattus norvegicus | 1 |
| - | 10.1007/s00044-006-0010-4 | B16 | 1 |
Data from ChEMBL 36 via Core Engine