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Compound Detail

CHEMBL193593

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Cc1ccc2occ(/C=N/c3ccc(S(=O)(=O)N=C(N)N)cc3)c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193593
Phase Preclinical
Structure Type MOL
InChI Key YFKZMMQAYPXJAI-ZVBGSRNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
1.81
ALogP
5
HBA
2
HBD
141.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O4S
MW 384.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 1 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 2 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 9 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine