Compound Detail
CHEMBL38313
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CC(=O)N(CC1CNc2nc(N)nc(O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL38313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZETDWWFLSMHEBJ-INSVYWFGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
0.45
ALogP
9
HBA
6
HBD
208.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 600.0 | nM | 6.22 | Compound was tested for its antitumor activity against human lymphoblastic leuke... | 2738886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738886 | 10.1021/jm00127a019 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine