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Compound Detail

CHEMBL3218725

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O=C(Cn1cc(-c2cnc(NC(=O)C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218725
Phase Preclinical
Structure Type MOL
InChI Key GKHOYEPUXSRJOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.7
MW (Da)
3.16
ALogP
10
HBA
2
HBD
145.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6O5S2
MW 584.72
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00002K Hexokinase-4 2

Data from ChEMBL 36 via Core Engine