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Compound Detail

CHEMBL1484438

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CC(Oc1ccccc1)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[K+]

Basic Information

ChEMBL ID CHEMBL1484438
Phase Preclinical
Structure Type MOL
InChI Key ORMNNUPLFAPCFD-UHFFFAOYSA-M
Parent Compound CHEMBL1622026
Active Moiety CHEMBL1622026
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.09
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H19KN2O5S
MW 402.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.11

Activity Summary

EC50 3 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.96 6.96 110.0 1
Streptokinase A
CHEMBL1293228
EC50 6.94 6.94 114.0 1
Streptococcus
CHEMBL612313
EC50 6.91 6.91 124.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine