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Compound Detail

CHEMBL4436955

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Cc1c(Br)c(N2CC(C(=O)NN)CC2=O)c(Br)c(C)c1S(N)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436955
Phase Preclinical
Structure Type MOL
InChI Key YZTCSMXMWIRWMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

484.2
MW (Da)
0.82
ALogP
5
HBA
3
HBD
135.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16Br2N4O4S
MW 484.17
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 1 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 3 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 2 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 4 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 5A, mitochondrial 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 5B, mitochondrial 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 6 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 7 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 9 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 12 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 13 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 14 1

Data from ChEMBL 36 via Core Engine