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Compound Detail

CHEMBL4593172

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NCc1ccc(-n2cc(-c3ccc(F)cc3)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593172
Phase Preclinical
Structure Type MOL
InChI Key URNAFWJIWHUMTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.14
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14FN3
MW 267.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.80

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