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Compound Detail

CHEMBL4209720

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Cc1ccccc1Cn1cc(Cn2c(=O)n(O)c(=O)c3cc(Br)ccc32)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209720
Phase Preclinical
Structure Type MOL
InChI Key KWIBCRXQQIBZIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.3
MW (Da)
2.16
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.49
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 C19H16BrN5O3
MW 442.27
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.56

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