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Compound Detail

CHEMBL3895524

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NC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3895524
Phase Preclinical
Structure Type MOL
InChI Key RTCIKUMODPANKX-UYXJWNHNSA-M
Parent Compound CHEMBL3990425
Active Moiety CHEMBL3990425
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.2
MW (Da)
-1.53
ALogP
5
HBA
2
HBD
130.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N3NaO6S
MW 287.23
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
 IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase IC50 = 650.0 nM 6.19 Inhibition Assay: For the measurement of β-lactamase inhibitory activity, 100 μM... -

Data from ChEMBL 36 via Core Engine