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Compound Detail

CHEMBL4862788

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CCCCc1oc2ccc(S(=O)(=O)N(CCC)CCC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862788
Phase Preclinical
Structure Type MOL
InChI Key VVJGIJWFUALASN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

626.9
MW (Da)
8.49
ALogP
6
HBA
0
HBD
80.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H54N2O5S
MW 626.90
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
34062252 10.1016/j.bmcl.2021.128160 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine