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Compound Detail

CHEMBL4212898

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O=c1c2cc(Br)ccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c(=O)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212898
Phase Preclinical
Structure Type MOL
InChI Key ZYAWOHTYPLSKJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

462.7
MW (Da)
2.50
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.47
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 C18H13BrClN5O3
MW 462.69
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.63

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

Data from ChEMBL 36 via Core Engine