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Compound Detail

CHEMBL3608745

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Cc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(Oc5ccc(S(N)(=O)=O)cc5)cc43)CC2)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608745
Phase Preclinical
Structure Type MOL
InChI Key JKFKPQNBIQQLQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

573.7
MW (Da)
2.67
ALogP
10
HBA
2
HBD
156.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N7O4S
MW 573.68
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.40

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