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Compound Detail

CHEMBL256431

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CCC(C)CNC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256431
Phase Preclinical
Structure Type MOL
InChI Key VCFUWIYFNKSLFA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.74
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O3
MW 392.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.37

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18180158 10.1016/j.bmcl.2007.12.039 Segment polarity protein dishevelled homolog DVL-1 3
18180158 10.1016/j.bmcl.2007.12.039 HepG2 2
18180158 10.1016/j.bmcl.2007.12.039 SJRH30 2
18180158 10.1016/j.bmcl.2007.12.039 BJ 2
18180158 10.1016/j.bmcl.2007.12.039 Segment polarity protein dishevelled homolog DVL-3 1

Data from ChEMBL 36 via Core Engine