Compound Detail
CHEMBL19914
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Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c(-c3ccccc3)nc2n1
Basic Information
| ChEMBL ID | CHEMBL19914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHPPOXMPOROEBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
2.52
ALogP
9
HBA
6
HBD
206.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.77 | 4.77 | 16940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 16940.0 | nM | 4.77 | Inhibition of cell growth of murine L-1210 cells | 3373490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3373490 | 10.1021/jm00401a023 | L1210 | 1 |
| 3373490 | 10.1021/jm00401a023 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine