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Compound Detail

CHEMBL299442

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CC1(C)[C@H](c2cnc(N)s2)[C@H]1c1cccc2c1CCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299442
Phase Preclinical
Structure Type MOL
InChI Key IRGKQVAANUBZAU-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
48.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2OS
MW 286.40
Aromatic Rings 2
Heavy Atoms 20

Literature References

PubMed DOI Target Context # Activities
14684323 10.1016/j.bmcl.2003.09.066 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine