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Compound Detail

CHEMBL4280979

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O=C(O)c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280979
Phase Preclinical
Structure Type MOL
InChI Key WCCPZEOFGDGTBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
5.01
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O2
MW 382.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
29939028 10.1021/acs.jmedchem.8b00545 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine