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Compound Detail

CHEMBL2178379

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Cc1ncc(C(=O)O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178379
Phase Preclinical
Structure Type MOL
InChI Key VRNUGKOLVIVNBO-HDJSIYSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.90
ALogP
4
HBA
2
HBD
100.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O4
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
23116186 10.1021/jm301296t No relevant target 1
23116186 10.1021/jm301296t Diacylglycerol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine