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Compound Detail

CHEMBL3105158

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Cc1cccc(Nc2nc(-c3ccnc(-c4cn(CCOCCOCCOCCOCCOCCOCCN)nn4)c3)cs2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105158
Phase Preclinical
Structure Type MOL
InChI Key UPIDUHHHGYSQFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

641.8
MW (Da)
3.57
ALogP
14
HBA
2
HBD
149.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43N7O6S
MW 641.80
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
24387866 10.1016/j.bmc.2013.12.028 NON-PROTEIN TARGET 2
24387866 10.1016/j.bmc.2013.12.028 Unchecked 1

Data from ChEMBL 36 via Core Engine