Compound Detail
CHEMBL164407
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Basic Information
| ChEMBL ID | CHEMBL164407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WICISKVHCJNLGB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.07
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.85 | 5.7967 | 1400.0 | 3 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against murine P388 leukemia (P388) cells. | 11806725 |
| L1210 | IC50 | = | 1400.0 | nM | 5.85 | Nanomolar concentration required to reduce the growth of L1210 cells in culture ... | 3572972 |
| L1210 | IC50 | = | 1715.0 | nM | 5.77 | Concentration required to inhibit growth of murine leukemia (L1210) cells in cul... | 3351846 |
| L1210 | IC50 | = | 1715.0 | nM | 5.77 | Inhibition of L1210 cell growth by 50% | 11831901 |
| Lewis lung carcinoma cell line | IC50 | = | 1850.0 | nM | 5.73 | Inhibitory concentration to reduce cell number to 50% in a panel of cultured, mu... | 11806725 |
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory concentration to reduce cell number to 50% in a panel of cultured, wi... | 11806725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351846 | 10.1021/jm00399a003 | Mus musculus | 3 |
| 11831901 | 10.1021/jm000473g | Mus musculus | 2 |
| 11831901 | 10.1021/jm000473g | Nucleic Acid | 2 |
| 3572972 | 10.1021/jm00388a017 | Calf thymus DNA | 2 |
| 3572972 | 10.1021/jm00388a017 | P388 | 2 |
| 3572972 | 10.1021/jm00388a017 | Lewis lung carcinoma cell line | 2 |
| 3351846 | 10.1021/jm00399a003 | Calf thymus DNA | 2 |
| 11806725 | 10.1021/jm010330+ | Unchecked | 2 |
| 3572972 | 10.1021/jm00388a017 | No relevant target | 1 |
| 11831901 | 10.1021/jm000473g | L1210 | 1 |
| 11831901 | 10.1021/jm000473g | No relevant target | 1 |
| 11806725 | 10.1021/jm010330+ | NON-PROTEIN TARGET | 1 |
| 11806725 | 10.1021/jm010330+ | Lewis lung carcinoma cell line | 1 |
| 11806725 | 10.1021/jm010330+ | P388 | 1 |
| 3572972 | 10.1021/jm00388a017 | L1210 | 1 |
| 3351846 | 10.1021/jm00399a003 | P388 | 1 |
| 3351846 | 10.1021/jm00399a003 | L1210 | 1 |
| 3351846 | 10.1021/jm00399a003 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine