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Compound Detail

CHEMBL404331

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Cc1cc2[nH]c(C(=O)NC(C)(C)C)c(CCc3ccccc3)c2cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404331
Phase Preclinical
Structure Type MOL
InChI Key MAXOUCQYGIWRPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.49
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O3
MW 378.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.55

Literature References

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

Data from ChEMBL 36 via Core Engine