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Compound Detail

CHEMBL18057

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O=C(CCc1cc(O)cc(O)c1)NCCCNC(=O)CCc1cc(O)cc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18057
Phase Preclinical
Structure Type MOL
InChI Key NKLXTYGSFHTYGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
1.70
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O6
MW 402.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
9111292 10.1021/jm960449w Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine