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Compound Detail

CHEMBL128050

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OCC1CCC(n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128050
Phase Preclinical
Structure Type MOL
InChI Key QRRLQZHQBPJCFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
4.28
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.78
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 C19H27ClN4O2
MW 378.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
7562937 10.1021/jm00020a017 Human immunodeficiency virus 1 1
7562937 10.1021/jm00020a017 C8166 1
7562937 10.1021/jm00020a017 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine