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Compound Detail

CHEMBL5176469

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CC(C)CS(=O)(=O)Nc1ccc(OCCNCC2COc3ccccc3O2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176469
Phase Preclinical
Structure Type MOL
InChI Key ZLEDZLCBOQTLOU-UHFFFAOYSA-N
Parent Compound CHEMBL5221467
Active Moiety CHEMBL5221467
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.89
ALogP
6
HBA
2
HBD
85.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29ClN2O5S
MW 456.99
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36201615 10.1021/acs.jmedchem.2c01192 Dipeptidyl peptidase 4 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 1 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 2 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 4 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 5A, mitochondrial 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 5B, mitochondrial 1
36201615 10.1021/acs.jmedchem.2c01192 Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine