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Compound Detail

CHEMBL5079046

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CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2Cc3ccccc3C[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079046
Phase Preclinical
Structure Type MOL
InChI Key OVGMDEHLYOVFBW-XPWALMASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
1.20
ALogP
4
HBA
3
HBD
84.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N4O3
MW 436.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.49

Literature References

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

Data from ChEMBL 36 via Core Engine