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Compound Detail

CHEMBL5169949

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C#Cc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5169949
Phase Preclinical
Structure Type MOL
InChI Key VVLQOBXBBWGHID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.27
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.81

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