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Compound Detail

CHEMBL5288054

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COc1cc(NC(=O)c2cc3sc(N4CCCCC4)nc3s2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288054
Phase Preclinical
Structure Type MOL
InChI Key NYEXMLNBZKPWPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.62
ALogP
7
HBA
1
HBD
63.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O3S2
MW 403.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.95

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.4083 hr Homo sapiens
T1/2 0.56 hr Mus musculus

Literature References

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

Data from ChEMBL 36 via Core Engine