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Compound Detail

CHEMBL102643

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

Basic Information

ChEMBL ID CHEMBL102643
Phase Preclinical
Structure Type BOTH
InChI Key XYWBPLHHAZLXAI-ASHKBJFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
-2.10
ALogP
7
HBA
7
HBD
231.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H33N5O8
MW 459.50
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
2153825 10.1021/jm00164a040 Unchecked 1
8411018 10.1021/jm00072a021 Unchecked 1

Data from ChEMBL 36 via Core Engine