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Compound Detail

CHEMBL3608755

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Cn1ccc(COc2cnc3ccc(=O)n(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608755
Phase Preclinical
Structure Type MOL
InChI Key GISBAKKWFIFRHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
1.69
ALogP
11
HBA
2
HBD
128.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N8O4
MW 544.62
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
26191359 10.1021/ml500531p Mycobacterium tuberculosis 1
26191359 10.1021/ml500531p Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine