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Compound Detail

CHEMBL1474508

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Cc1nc2ccccn2c1C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1474508
Phase Preclinical
Structure Type MOL
InChI Key IYCORSIGYKHFOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.93
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
24171469 10.1021/jm400904m Neuropeptide S receptor 3

Data from ChEMBL 36 via Core Engine