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Compound Detail

CHEMBL5186146

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CCc1ccc2c(c1)nc(NCc1ccc(C#N)o1)n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186146
Phase Preclinical
Structure Type MOL
InChI Key VNWUTINXMLGHRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.72
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
35653869 10.1016/j.bmc.2022.116853 Short transient receptor potential channel 5 1

Data from ChEMBL 36 via Core Engine