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Compound Detail

CHEMBL4211950

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O=c1nc(Nc2ccccc2-c2cn(Cc3ccc(F)cc3)nn2)c2cccnc2n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211950
Phase Preclinical
Structure Type MOL
InChI Key PJGZXYQXAQFSFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.22
ALogP
9
HBA
2
HBD
110.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN7O2
MW 429.42
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
28951095 10.1016/j.bmc.2017.09.006 Unchecked 2
28951095 10.1016/j.bmc.2017.09.006 Human immunodeficiency virus 1 1
28951095 10.1016/j.bmc.2017.09.006 Human immunodeficiency virus 2 1
28951095 10.1016/j.bmc.2017.09.006 MT4 1
28951095 10.1016/j.bmc.2017.09.006 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine