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Compound Detail

CHEMBL3608743

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NS(=O)(=O)c1ccc(Oc2ccc3ccc(=O)n(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608743
Phase Preclinical
Structure Type MOL
InChI Key MIRDMQMKFMHKMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

605.7
MW (Da)
1.82
ALogP
11
HBA
3
HBD
170.8
PSA (Ų)
0.26
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 C29H31N7O6S
MW 605.68
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.30

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
26191359 10.1021/ml500531p Caco-2 1

Data from ChEMBL 36 via Core Engine