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Compound Detail

CHEMBL242888

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Brc1ccc(Cn2ccc3nc(CCCCc4ccccc4)nc-3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242888
Phase Preclinical
Structure Type MOL
InChI Key HXEVYWOYUYIBAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
5.76
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22BrN3
MW 420.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.95

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