Compound Detail
CHEMBL430750
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Basic Information
| ChEMBL ID | CHEMBL430750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASVIEXKOXDCZDF-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.65
ALogP
7
HBA
0
HBD
87.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | - |
| T1/2 | 72.0 | hr | - |
| T1/2 | - | hr | Rattus norvegicus |
| T1/2 | - | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 390.0 | nM | 6.41 | Concentration that inhibits the proliferation of L1210 cells by 50% | 2537428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642549 | 10.1021/jm9600555 | ADMET | 2 |
| 8642549 | 10.1021/jm9600555 | Rattus norvegicus | 1 |
| 8642549 | 10.1021/jm9600555 | Homo sapiens | 1 |
| 2537428 | 10.1021/jm00123a038 | DNA topoisomerase 1 | 1 |
| 2537428 | 10.1021/jm00123a038 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine