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Compound Detail

CHEMBL368395

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CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)O)c(-c2ccc(O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368395
Phase Preclinical
Structure Type MOL
InChI Key PLBOBAJOXYOBJQ-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.78
ALogP
5
HBA
4
HBD
125.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O6
MW 442.51
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
15013002 10.1016/j.bmcl.2003.12.034 Homo sapiens 1

Data from ChEMBL 36 via Core Engine