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Compound Detail

CHEMBL401537

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Cc1cc2[nH]c(C(=O)NCc3ccccc3)c(CCc3ccccc3)c2cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401537
Phase Preclinical
Structure Type MOL
InChI Key YMVDVQGVONFPIM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.89
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O3
MW 412.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.59

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