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Compound Detail

CHEMBL3218724

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

Basic Information

ChEMBL ID CHEMBL3218724
Phase Preclinical
Structure Type MOL
InChI Key OAHNTFNXUJGHHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

572.7
MW (Da)
3.01
ALogP
10
HBA
2
HBD
145.2
PSA (Ų)
0.36
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 C26H32N6O5S2
MW 572.71
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.68

Literature References

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

Data from ChEMBL 36 via Core Engine