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Compound Detail

CHEMBL1812412

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CCCCCCCCn1c2ccccc2c2ccc(OC(C)(C)C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812412
Phase Preclinical
Structure Type MOL
InChI Key XPLJUTKGHJXIFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
6.40
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31NO3
MW 381.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
21763147 10.1016/j.bmc.2011.06.062 Gamma-secretase 3
21763147 10.1016/j.bmc.2011.06.062 H4 1

Data from ChEMBL 36 via Core Engine