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Compound Detail

CHEMBL2311913

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CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(O)c(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311913
Phase Preclinical
Structure Type MOL
InChI Key NORXWJVICYRKAB-NTLNCKMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
3.90
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.43
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 C18H16BrN3O3S
MW 434.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
23306052 10.1016/j.bmc.2012.12.012 Human immunodeficiency virus 1 1
23306052 10.1016/j.bmc.2012.12.012 HCT-116 1
23306052 10.1016/j.bmc.2012.12.012 Unchecked 1

Data from ChEMBL 36 via Core Engine