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Compound Detail

CHEMBL163038

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CC(C)C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163038
Phase Preclinical
Structure Type MOL
InChI Key KIJVXDJZFILBNC-UFYCRDLUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
1.27
ALogP
5
HBA
4
HBD
117.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O3
MW 398.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
12593654 10.1021/jm020951i Plasmepsin I 1
12593654 10.1021/jm020951i Plasmepsin II 1
12593654 10.1021/jm020951i Cathepsin D 1

Data from ChEMBL 36 via Core Engine