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Compound Detail

CHEMBL198165

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Cc1n[nH]c([C@H](OC/C=C/Br)[C@H](O)[C@@H](O)[C@@H](OC/C=C/Br)C(=O)N[C@H]2c3ccccc3C[C@H]2O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198165
Phase Preclinical
Structure Type MOL
InChI Key QINDSMKDLSNPBJ-MOHNPFDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

616.3
MW (Da)
1.87
ALogP
8
HBA
5
HBD
149.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28Br2N4O6
MW 616.31
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
16162010 10.1021/jm050463l Plasmepsin I 1
16162010 10.1021/jm050463l Plasmepsin II 1
16162010 10.1021/jm050463l Cathepsin D 1

Data from ChEMBL 36 via Core Engine