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Compound Detail

CHEMBL2010856

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Cc1cc(C)c(OCC(COc2c(C)cc(C)cc2C)C(=O)N(Cc2ccccc2)[C@@H](CC(C)C)C(=O)NCC(=O)OCc2ccccc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2010856
Phase Preclinical
Structure Type MOL
InChI Key ZHDPGRXBKBJHLO-KDXMTYKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

706.9
MW (Da)
7.91
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H54N2O6
MW 706.92
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
22128876 10.1021/jm201359d NON-PROTEIN TARGET 1
22128876 10.1021/jm201359d EMT6 1
22128876 10.1021/jm201359d Unchecked 1

Data from ChEMBL 36 via Core Engine