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Compound Detail

CHEMBL603537

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C[C@@H](C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603537
Phase Preclinical
Structure Type MOL
InChI Key LZRKHKQSSIPDCO-LPHOPBHVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
82.4
PSA (Ų)
0.82
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 C21H23N3O3
MW 365.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.56

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19913414 10.1016/j.bmcl.2009.10.122 Plasmodium falciparum 2
19913414 10.1016/j.bmcl.2009.10.122 Unchecked 2
19913414 10.1016/j.bmcl.2009.10.122 Papain 1

Data from ChEMBL 36 via Core Engine