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Compound Detail

CHEMBL3608314

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Cc1cc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(Oc6ccc(S(N)(=O)=O)cc6)cc54)CC3)nc2cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608314
Phase Preclinical
Structure Type MOL
InChI Key XJBRZHSMORVYMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

583.7
MW (Da)
3.77
ALogP
9
HBA
2
HBD
160.0
PSA (Ų)
0.29
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 C30H29N7O4S
MW 583.67
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.50

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