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Compound Detail

CHEMBL124117

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CC(=O)Nc1cccc(-c2ccc(CC3(C)SC(O)=C(C)C3=O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124117
Phase Preclinical
Structure Type MOL
InChI Key YZYPRAYYCVMCBO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.72
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO3S
MW 367.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14552758 10.1016/j.bmcl.2003.08.015 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine