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Compound Detail

CHEMBL4591499

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Cc1ccc(-c2c(C)nn(-c3ccc(CN)cc3)c2C)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4591499
Phase Preclinical
Structure Type MOL
InChI Key RLCPETJPECORIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.32
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 C18H20N4
MW 292.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.38

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