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Compound Detail

CHEMBL5272865

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COc1ccc(C(=O)Nc2cc3sc(N4CCCCC4)nc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5272865
Phase Preclinical
Structure Type MOL
InChI Key YZLKQVUKGCCYOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.61
ALogP
6
HBA
1
HBD
54.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2S2
MW 373.50
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
33075682 10.1016/j.bmc.2020.115797 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine