Compound Detail
CHEMBL3409337
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Nc1nc2[nH]cc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3409337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSXZWPIJIYKAQE-AWEZNQCLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.29
ALogP
7
HBA
6
HBD
191.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25602637 | 10.1021/jm501787c | Reduced folate transporter | 1 |
| 25602637 | 10.1021/jm501787c | R2 | 1 |
| 25602637 | 10.1021/jm501787c | Folate receptor alpha | 1 |
| 25602637 | 10.1021/jm501787c | Proton-coupled folate transporter | 1 |
| 25602637 | 10.1021/jm501787c | ADMET | 1 |
| 25602637 | 10.1021/jm501787c | KB | 1 |
Data from ChEMBL 36 via Core Engine