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Compound Detail

CHEMBL2441930

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COc1cc(CN(CCN)C(=O)O[C@@H](C)c2ccccc2)ccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441930
Phase Preclinical
Structure Type MOL
InChI Key URRBLVUOXIGNQR-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.93
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O4
MW 434.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
24080460 10.1016/j.bmcl.2013.09.016 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine