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Compound Detail

CHEMBL402385

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Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NC(C)C)[nH]c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402385
Phase Preclinical
Structure Type MOL
InChI Key LHVJFVFVONATPO-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.27
ALogP
4
HBA
3
HBD
108.1
PSA (Ų)
0.51
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 C24H25N3O4
MW 419.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
36827952 10.1016/j.ejmech.2023.115211 Leishmania donovani 2
18024028 10.1016/j.bmcl.2007.10.097 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine