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Compound Detail

CHEMBL4857490

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CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857490
Phase Preclinical
Structure Type MOL
InChI Key VHBWPFHJZLCJHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.7
MW (Da)
7.68
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H41NO3
MW 463.66
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.38

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