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Compound Detail

CHEMBL468824

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CC(C)c1nc(Nc2ccn(C)n2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468824
Phase Preclinical
Structure Type MOL
InChI Key WJKPEOOFIOXKEA-RKQNLGICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
3.48
ALogP
8
HBA
4
HBD
133.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28FN5O4
MW 469.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
18412317 10.1021/jm800001n No relevant target 1

Data from ChEMBL 36 via Core Engine