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Compound Detail

CHEMBL1812420

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CCCCCCCCn1c2ccc(Cl)cc2c2ccc(C(C)C(=O)OCc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812420
Phase Preclinical
Structure Type MOL
InChI Key JXZFLDHLLXGLQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.1
MW (Da)
8.66
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34ClNO2
MW 476.06
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.53

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