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Compound Detail

CHEMBL5176080

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Cn1cnc(C(=O)c2nc3c4c5c(nccc5c(C(C[N+](C)(C)C)c5c[nH]c6cc(Br)ccc56)c3o2)C=CN4)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176080
Phase Preclinical
Structure Type MOL
InChI Key DBDKFLCLXBAJEZ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

597.5
MW (Da)
5.82
ALogP
7
HBA
2
HBD
101.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H27BrN7O2+
MW 597.50
Aromatic Rings 6
Heavy Atoms 40
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
33153766 10.1016/j.ejmech.2020.112945 Aspergillus niger 1

Data from ChEMBL 36 via Core Engine