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Compound Detail

CHEMBL50100

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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50100
Phase Preclinical
Structure Type BOTH
InChI Key WTCQRPOLHNTBDI-PXQJOHHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
0.08
ALogP
7
HBA
6
HBD
196.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H48N6O6
MW 540.71
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1

Data from ChEMBL 36 via Core Engine