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Compound Detail

CHEMBL350081

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

Basic Information

ChEMBL ID CHEMBL350081
Phase Preclinical
Structure Type MOL
InChI Key NSODVOFWHFOGLP-FWEHEUNISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

531.7
MW (Da)
1.61
ALogP
6
HBA
5
HBD
146.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37N5O4
MW 531.66
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.20

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