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Compound Detail

CHEMBL161049

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C#CCN(Cc1ccc2nc(CN)nc(O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL161049
Phase Preclinical
Structure Type MOL
InChI Key FULQTNPMXWQYOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
3.27
ALogP
8
HBA
3
HBD
147.5
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N6O4
MW 496.53
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
8576912 10.1021/jm950645n Thymidylate synthase 1
8576912 10.1021/jm950645n L1210 1

Data from ChEMBL 36 via Core Engine