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Compound Detail

CHEMBL241358

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O=C(O)COc1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241358
Phase Preclinical
Structure Type MOL
InChI Key DHHFPUAOLUEAOJ-VXLYETTFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
2.45
ALogP
7
HBA
2
HBD
109.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5O3
MW 349.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.70

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17502148 10.1016/j.bmc.2007.04.041 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine