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Compound Detail

CHEMBL1957908

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CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)n1

Basic Information

ChEMBL ID CHEMBL1957908
Phase Preclinical
Structure Type MOL
InChI Key QZZQNIFXNPLJGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.00
ALogP
8
HBA
4
HBD
132.4
PSA (Ų)
0.39
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 C26H31N7O3
MW 489.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
22405288 10.1016/j.ejmech.2012.02.019 Human immunodeficiency virus 1 2
22405288 10.1016/j.ejmech.2012.02.019 MT4 1
22405288 10.1016/j.ejmech.2012.02.019 Unchecked 1
22405288 10.1016/j.ejmech.2012.02.019 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine