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Compound Detail

CHEMBL4849620

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Cc1cc(=O)oc2cc(OC(C)c3ccccc3)ccc12

Basic Information

ChEMBL ID CHEMBL4849620
Phase Preclinical
Structure Type MOL
InChI Key KHLSXVLGCMGZRA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
4.24
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O3
MW 280.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.53

Activity Summary

EC50 2 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Immunoglobulin lambda variable 6-57
CHEMBL4739844
EC50 5.71 5.555 1960.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33939422 10.1021/acs.jmedchem.1c00339 Immunoglobulin lambda variable 6-57 2
33939422 10.1021/acs.jmedchem.1c00339 Unchecked 1

Data from ChEMBL 36 via Core Engine