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Compound Detail

CHEMBL2311888

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Oc1ccc(Br)cc1/C=N/Nc1cccc2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311888
Phase Preclinical
Structure Type MOL
InChI Key YODBRDORVMQDHR-VXLYETTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
4.15
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.56
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 C16H12BrN3O
MW 342.20
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
23306052 10.1016/j.bmc.2012.12.012 Human immunodeficiency virus type 1 integrase 2
23306052 10.1016/j.bmc.2012.12.012 Unchecked 1

Data from ChEMBL 36 via Core Engine