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Compound Detail

CHEMBL238415

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COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(OC)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238415
Phase Preclinical
Structure Type MOL
InChI Key YHGVQUWHZBAOQU-LHRNQBEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
1.73
ALogP
7
HBA
4
HBD
125.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO7
MW 387.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
17418581 10.1016/j.bmc.2006.06.059 Unchecked 1
17418581 10.1016/j.bmc.2006.06.059 Jurkat 1
17418581 10.1016/j.bmc.2006.06.059 No relevant target 1

Data from ChEMBL 36 via Core Engine