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Compound Detail

CHEMBL357339

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CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](OS(N)(=O)=O)CC[C@]4(C)C3CCC21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357339
Phase Preclinical
Structure Type MOL
InChI Key QVXJYMLQCGQFAE-IYOIKDFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

451.7
MW (Da)
6.23
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H45NO3S
MW 451.72
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.85

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