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Compound Detail

CHEMBL102112

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Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102112
Phase Preclinical
Structure Type MOL
InChI Key JYYLGTPFJYJTSA-RBMDBAKPSA-M
Parent Compound CHEMBL1205483
Active Moiety CHEMBL1205483
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.18
ALogP
5
HBA
3
HBD
99.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22NNaO5
MW 403.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
1656041 10.1021/jm00114a004 3-hydroxy-3-methylglutaryl-coenzyme A reductase 4

Data from ChEMBL 36 via Core Engine