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Compound Detail

CHEMBL1257456

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O=C(NCc1ccc(F)cc1)c1nc2c3ccc(N4CCOCC4)cc3on2c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1257456
Phase Preclinical
Structure Type MOL
InChI Key NPBGLLZHVMYZEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
2.05
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19FN4O5
MW 438.42
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
20727748 10.1016/j.bmcl.2010.07.079 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine