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Compound Detail

CHEMBL1927043

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Cc1cc(NC2CCCCC2)nc(Nc2ccc(C#N)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927043
Phase Preclinical
Structure Type MOL
InChI Key NNQAKWXGLPGRKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.14
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.89
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 C18H21N5
MW 307.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
22037050 10.1016/j.bmc.2011.10.002 Human immunodeficiency virus 1 2
22037050 10.1016/j.bmc.2011.10.002 Human immunodeficiency virus 2 1
22037050 10.1016/j.bmc.2011.10.002 MT4 1
22037050 10.1016/j.bmc.2011.10.002 Unchecked 1

Data from ChEMBL 36 via Core Engine