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Compound Detail

CHEMBL3233098

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O=C(CCOc1ccccc1)NCCc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233098
Phase Preclinical
Structure Type MOL
InChI Key PEKYMWJHBIJKTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.69
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
24533839 10.1021/jm401709b Cruzipain 2

Data from ChEMBL 36 via Core Engine