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Compound Detail

CHEMBL3621754

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CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](CC(=O)[C@@H](C)[C@H](C)O)C2=CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621754
Phase Preclinical
Structure Type MOL
InChI Key ZWDNNHBNGPVOJX-YMQQIBJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
3.81
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H29ClO5
MW 408.92
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.42

Literature References

PubMed DOI Target Context # Activities
26343828 10.1016/j.bmcl.2015.08.063 RAW264.7 3
26343828 10.1016/j.bmcl.2015.08.063 Unchecked 2
26343828 10.1016/j.bmcl.2015.08.063 HEK293 1

Data from ChEMBL 36 via Core Engine