Compound Detail
CHEMBL305747
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Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1)C2
Basic Information
| ChEMBL ID | CHEMBL305747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQCXGHHHNACOGE-ACGXKRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
1.09
ALogP
9
HBA
6
HBD
187.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 2.3 | nM | 8.64 | In vitro antitumor activity was assessed from rate of cell growth of CCRF/CEM ce... | 8027993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027993 | 10.1021/jm00039a025 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine