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Compound Detail

CHEMBL50922

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CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50922
Phase Preclinical
Structure Type BOTH
InChI Key BXHRXLMCYSZSIY-ZCPGHIKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
0.79
ALogP
5
HBA
5
HBD
127.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N3O5
MW 391.47
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.24

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