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Compound Detail

CHEMBL4452562

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N#C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452562
Phase Preclinical
Structure Type MOL
InChI Key MOTFDRGRWHCPNZ-OIFRRMEBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

527.6
MW (Da)
6.41
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28F3N3O
MW 527.59
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
31561938 10.1016/j.bmc.2019.115083 Cruzipain 1
31561938 10.1016/j.bmc.2019.115083 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine