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Compound Detail

CHEMBL298358

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CC1(C)[C@H](c2c[nH]cn2)[C@H]1c1cccc2c1CCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298358
Phase Preclinical
Structure Type MOL
InChI Key BAMXLHIZNZVKAI-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.25
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.89
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 C16H18N2O
MW 254.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.35

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