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Compound Detail

CHEMBL3353218

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O=C1Nc2cn(CCN3CCOCC3)nc2C(=O)NCCOCCc2cc(ccn2)-c2nc1cs2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353218
Phase Preclinical
Structure Type MOL
InChI Key BUIQKCSRWRGMOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
1.29
ALogP
10
HBA
2
HBD
123.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O4S
MW 497.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
25479567 10.1021/jm5016044 A549 1
25479567 10.1021/jm5016044 Interleukin-1 receptor-associated kinase 4 1

Data from ChEMBL 36 via Core Engine