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Compound Detail

CHEMBL320303

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Cc1cccc(/C=C2/N=C(SC3CCCCC3)NC(=O)C2(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320303
Phase Preclinical
Structure Type MOL
InChI Key MZVWLCPMLIUIFU-GHRIWEEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
4.91
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2OS
MW 342.51
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
7650679 10.1021/jm00017a010 MT4 2
7650679 10.1021/jm00017a010 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine