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Compound Detail

CHEMBL173548

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CCOC(=O)C(CCCCn1cnc2ncnc(Cl)c21)(NC(C)=O)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173548
Phase Preclinical
Structure Type MOL
InChI Key QSGBDGARFWEUCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.9
MW (Da)
1.65
ALogP
9
HBA
1
HBD
125.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24ClN5O5
MW 425.87
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.66

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