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Compound Detail

CHEMBL483553

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)C(=O)[C@@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483553
Phase Preclinical
Structure Type BOTH
InChI Key GPUNEORQKPNEDC-MZLICYQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
0.94
ALogP
6
HBA
2
HBD
100.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H35N3O5
MW 445.56
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
19348473 10.1021/jm801329v Mus musculus 3
19348473 10.1021/jm801329v No relevant target 2
19348473 10.1021/jm801329v NON-PROTEIN TARGET 2
19348473 10.1021/jm801329v Unchecked 2
19348473 10.1021/jm801329v Liver microsomes 1
19348473 10.1021/jm801329v ADMET 1

Data from ChEMBL 36 via Core Engine