Compound Detail
CHEMBL291615
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Basic Information
| ChEMBL ID | CHEMBL291615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYEFXQDSCUBINM-ZETCQYMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
0.81
ALogP
6
HBA
0
HBD
76.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 42000.0 | nM | 4.38 | Tested for cytotoxicity against L1210 mouse Leukemia cell | 10354403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354403 | 10.1021/jm981117p | Calf thymus DNA | 3 |
| 10354403 | 10.1021/jm981117p | L1210 | 1 |
| 10354403 | 10.1021/jm981117p | ADMET | 1 |
| 10354403 | 10.1021/jm981117p | CH1 | 1 |
Data from ChEMBL 36 via Core Engine