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Compound Detail

CHEMBL519645

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COc1ccc(C(C)(C)CNCC(O)COc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519645
Phase Preclinical
Structure Type MOL
InChI Key LZZODARHSPQPEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.00
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27NO3
MW 329.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
19492813 10.1021/jm900364m Extracellular calcium-sensing receptor 1
19492813 10.1021/jm900364m Unchecked 1

Data from ChEMBL 36 via Core Engine