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Compound Detail

CHEMBL166746

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C[C@@H]1Cn2c(O)nc3cc(Cl)cc(c32)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166746
Phase Preclinical
Structure Type MOL
InChI Key AXFWLGOWUVPEFD-ZCFIWIBFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.7
MW (Da)
1.89
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12ClN3O
MW 237.69
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
7877143 10.1021/jm00005a005 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine