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Compound Detail

CHEMBL1685001

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CCOC(=O)C1CCCN(C(=O)CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc2C(O)c2ccccc2F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685001
Phase Preclinical
Structure Type MOL
InChI Key APAOEFPJIBMRPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

561.1
MW (Da)
5.52
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.41
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38ClFN2O5
MW 561.09
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
21353782 10.1016/j.bmc.2011.01.065 Squalene synthase 1

Data from ChEMBL 36 via Core Engine