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Compound Detail

CHEMBL4463485

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Cc1nn(-c2ccc3c(c2)CCN3)c(C)c1-c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463485
Phase Preclinical
Structure Type MOL
InChI Key HOCYHFPGIJMZBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.26
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.77
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 C19H18FN3
MW 307.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.53

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