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Compound Detail

CHEMBL4527919

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Cc1nn(-c2ncnc3c2CN(C)C3)c(C)c1-c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527919
Phase Preclinical
Structure Type MOL
InChI Key NMHMYKHZCAMASD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.03
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FN5
MW 323.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
30996808 10.1021/acsmedchemlett.8b00591 Acid-sensing ion channel 1 1
30996808 10.1021/acsmedchemlett.8b00591 Acid-sensing ion channel 2 1
30996808 10.1021/acsmedchemlett.8b00591 Acid-sensing ion channel 1/2 1

Data from ChEMBL 36 via Core Engine