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Compound Detail

CHEMBL1528206

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CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1528206
Phase Preclinical
Structure Type MOL
InChI Key AEKZOGLVLOZMLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
2.88
ALogP
5
HBA
3
HBD
92.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18BrN3O4S
MW 440.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.97

Activity Summary

EC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus
CHEMBL612313
 EC50 6.85 6.85 141.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Streptococcus EC50 = 141.0 nM 6.85 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -

Data from ChEMBL 36 via Core Engine