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Compound Detail

CHEMBL430094

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CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(N)=O)[C@@H](C)CC

Basic Information

ChEMBL ID CHEMBL430094
Phase Preclinical
Structure Type MOL
InChI Key QDUGBZOOWCOVDJ-OSIVGHHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

737.0
MW (Da)
1.56
ALogP
9
HBA
6
HBD
200.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H56N6O7S2
MW 737.00
Aromatic Rings 1
Heavy Atoms 50
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
18006315 10.1016/j.bmcl.2007.10.066 Protease 1
18006315 10.1016/j.bmcl.2007.10.066 Gag-Pro polyprotein 1

Data from ChEMBL 36 via Core Engine