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Compound Detail

CHEMBL308972

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CSc1c(C#N)c2c(O)nc(N)nc2n1COCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308972
Phase Preclinical
Structure Type MOL
InChI Key CBEBPNKZQJRLPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
0.28
ALogP
9
HBA
3
HBD
130.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N5O3S
MW 295.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.90

Literature References

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

Data from ChEMBL 36 via Core Engine