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Compound Detail

CHEMBL386001

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N#CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386001
Phase Preclinical
Structure Type MOL
InChI Key LQGRGEYYZGXARE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.61
ALogP
4
HBA
1
HBD
69.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3OS
MW 361.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
17381078 10.1021/jm061167r Human immunodeficiency virus 1 1
17381078 10.1021/jm061167r MT4 1
17381078 10.1021/jm061167r Unchecked 1

Data from ChEMBL 36 via Core Engine