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Compound Detail

CHEMBL572172

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C[C@@H](NCc1nc(-c2ccccc2)co1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL572172
Phase Preclinical
Structure Type MOL
InChI Key XPRJNJDFZLUYFP-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.19
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.76
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 C18H18N2O
MW 278.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.83

Literature References

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

Data from ChEMBL 36 via Core Engine