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Compound Detail

CHEMBL1685006

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CCOC(=O)C1CCCN(C(=O)CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc2C(O)c2cccc(OC)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685006
Phase Preclinical
Structure Type MOL
InChI Key ZIRMTKCKOSHUCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

573.1
MW (Da)
5.39
ALogP
6
HBA
1
HBD
96.4
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H41ClN2O6
MW 573.13
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -1.21

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