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Compound Detail

CHEMBL3577897

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O=C(O)c1cccc(CN(C(=O)c2cnc3ccccc3c2)[C@H](CO)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577897
Phase Preclinical
Structure Type MOL
InChI Key KNVVWEOKVKEYLG-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.31
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.46
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 C26H22N2O4
MW 426.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
25893043 10.1021/ml500479v Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine