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Compound Detail

CHEMBL568946

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C[C@@H](NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568946
Phase Preclinical
Structure Type MOL
InChI Key VVQQKZGLWTWCLF-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.93
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3
MW 277.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
19835382 10.1021/jm9012278 Extracellular calcium-sensing receptor 1

Data from ChEMBL 36 via Core Engine