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Compound Detail

CHEMBL176639

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CCC(=O)CCC1=Nc2nnc(CCCCc3nnc4n3C(=O)C(CCC(=O)CC)=N4)n2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL176639
Phase Preclinical
Structure Type MOL
InChI Key NFJMPIGOBXSFJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
2.41
ALogP
12
HBA
0
HBD
154.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N8O4
MW 466.50
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine