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Compound Detail

CHEMBL92672

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COc1ccc(C(=O)C2=NCCc3cc(OC)c(OC)cc32)cc1

Basic Information

ChEMBL ID CHEMBL92672
Phase Preclinical
Structure Type MOL
InChI Key CIYCAXMLCWXOKZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.94
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4
MW 325.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.38

Activity Summary

IC50 1 meas. best 4.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.06 4.06 87000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 87000.0 nM 4.06 In vitro inhibition of Collagen (10 ug/mL) induced platelet aggregatory activity... 12873516

Literature References

PubMed DOI Target Context # Activities
12873516 10.1016/s0960-894x(03)00477-3 Unchecked 4

Data from ChEMBL 36 via Core Engine