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Compound Detail

CHEMBL4214520

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Cc1ccc(Cn2cc(-c3ccccc3Nc3nc(=O)n(O)c4ncccc34)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214520
Phase Preclinical
Structure Type MOL
InChI Key ZHRSFZZJFLYCFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
3.39
ALogP
9
HBA
2
HBD
110.8
PSA (Ų)
0.42
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 C23H19N7O2
MW 425.45
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.42

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