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Compound Detail

CHEMBL2010862

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C=C(C)C(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)NCC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2010862
Phase Preclinical
Structure Type MOL
InChI Key VZOBEYKPVASGRS-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
3.87
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N2O4
MW 436.55
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.54

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