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Compound Detail

CHEMBL395768

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CCc1nnc(N2C(=O)CSC2c2c(F)cccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395768
Phase Preclinical
Structure Type MOL
InChI Key LEYKPLQKYLFTQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
3.67
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11ClFN3OS2
MW 343.84
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
17178227 10.1016/j.bmc.2006.12.003 Unchecked 3
17178227 10.1016/j.bmc.2006.12.003 Human immunodeficiency virus 1 2
17178227 10.1016/j.bmc.2006.12.003 MT4 1
17178227 10.1016/j.bmc.2006.12.003 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine