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Compound Detail

CHEMBL3706871

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N#Cc1ccc(CNc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3706871
Phase Preclinical
Structure Type MOL
InChI Key SYJSCCAPTQDXOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.17
ALogP
3
HBA
2
HBD
68.7
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 C21H15N3O
MW 325.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
17158051 10.1016/j.bmc.2006.11.026 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine