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Compound Detail

CHEMBL243542

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Brc1ccc(Cn2ccc3nc(-c4cc(Br)cc(Br)c4)nc-3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243542
Phase Preclinical
Structure Type MOL
InChI Key OEOGJHRPDMYPER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

522.0
MW (Da)
6.39
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Br3N3
MW 522.04
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
17084081 10.1016/j.bmcl.2006.10.039 ADMET 2
17084081 10.1016/j.bmcl.2006.10.039 Unchecked 2
17084081 10.1016/j.bmcl.2006.10.039 Bovine viral diarrhea virus 1 1
17084081 10.1016/j.bmcl.2006.10.039 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine