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Compound Detail

CHEMBL1917566

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Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccc(-c2nnn[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1917566
Phase Preclinical
Structure Type MOL
InChI Key NBSLCBNRRCEMJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
2.70
ALogP
6
HBA
1
HBD
107.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N7
MW 315.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.41

Literature References

PubMed DOI Target Context # Activities
22014749 10.1016/j.bmc.2011.09.047 Unchecked 1
22014749 10.1016/j.bmc.2011.09.047 Human immunodeficiency virus 1 1
22014749 10.1016/j.bmc.2011.09.047 MT2 1

Data from ChEMBL 36 via Core Engine