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Compound Detail

CHEMBL479174

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CN1CC[C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@@H]2C1.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479174
Phase Preclinical
Structure Type MOL
InChI Key UHYVRHRMGVJGAG-JZKFLRDJSA-M
Parent Compound CHEMBL1208030
Active Moiety CHEMBL1208030
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.53
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.83
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 C14H17KN2O2
MW 284.40
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18395454 10.1016/j.bmc.2008.03.039 Aldo-keto reductase family 1 member B1 1
18395454 10.1016/j.bmc.2008.03.039 No relevant target 1

Data from ChEMBL 36 via Core Engine