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Compound Detail

CHEMBL1224050

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O=C(NCCCN1CCN(C(=O)/C=C/c2cccc(O)c2)CC1)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224050
Phase Preclinical
Structure Type MOL
InChI Key UUWDJBQXJFELJP-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
1.78
ALogP
6
HBA
4
HBD
113.3
PSA (Ų)
0.31
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 C23H27N3O5
MW 425.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
20709544 10.1016/j.bmcl.2010.07.087 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine