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Compound Detail

CHEMBL348471

SULFAMIC ACID PROPYL ESTER
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CCCOS(N)(=O)=O

Basic Information

ChEMBL ID CHEMBL348471
Name SULFAMIC ACID PROPYL ESTER
Phase Preclinical
Structure Type MOL
InChI Key GGIUUCJLIYQRAE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

139.2
MW (Da)
-0.38
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.58
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 C3H9NO3S
MW 139.18
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.55

Activity Summary

Ki 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 2
CHEMBL205
Ki 6.12 6.12 750.0 1
Carbonic anhydrase 1
CHEMBL261
Ki 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14640555 10.1021/jm030911u Carbonic anhydrase 1 1
14640555 10.1021/jm030911u Carbonic anhydrase 2 1
14640555 10.1021/jm030911u Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine