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Compound Detail

CHEMBL5072701

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O=C(CN[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5072701
Phase Preclinical
Structure Type MOL
InChI Key CSSGTEMXBCAZSV-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
2.36
ALogP
6
HBA
4
HBD
107.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O5
MW 462.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
34288674 10.1021/acs.jmedchem.1c00628 Cruzipain 1

Data from ChEMBL 36 via Core Engine