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Compound Detail

CHEMBL461195

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CSC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461195
Phase Preclinical
Structure Type BOTH
InChI Key HMRHGDKXFLRDDY-QZHFEQFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
-1.57
ALogP
9
HBA
8
HBD
226.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38N6O7S
MW 554.67
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
19072163 10.1021/jm800735d Unchecked 1

Data from ChEMBL 36 via Core Engine