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Compound Detail

CHEMBL511416

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CC(C)c1nc(Nc2nsc(-c3ccccc3)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 CHEMBL511416
Phase Preclinical
Structure Type MOL
InChI Key MHPTUGAUOGKAGG-DDVDASKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
5.27
ALogP
9
HBA
4
HBD
141.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28FN5O4S
MW 549.63
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.34

Literature References

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

Data from ChEMBL 36 via Core Engine