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Compound Detail

CHEMBL1778878

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CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2)C[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778878
Phase Preclinical
Structure Type MOL
InChI Key RHZIYXIKVQLGRP-STQMWFEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
3.18
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20ClNO5
MW 341.79
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
21550803 10.1016/j.bmcl.2011.04.056 Unchecked 1

Data from ChEMBL 36 via Core Engine