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Compound Detail

CHEMBL69314

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CSc1c(C(N)=O)c2c(O)nc(N)nc2n1CC(O)CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69314
Phase Preclinical
Structure Type MOL
InChI Key GOMZOYDPIFBHKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
-0.72
ALogP
9
HBA
5
HBD
160.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O4S
MW 327.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
2165163 10.1021/jm00170a019 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine