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Compound Detail

CHEMBL4517411

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Cc1nn(-c2ccc(CN)nc2)c(C)c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517411
Phase Preclinical
Structure Type MOL
InChI Key CMYMZIBAHPIODZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.15
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.81
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 C17H17FN4
MW 296.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.61

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