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Compound Detail

CHEMBL495845

ARCYRIARUBIN B
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O=C1NC(=O)C(c2c[nH]c3cc(O)ccc23)=C1c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL495845
Name ARCYRIARUBIN B
Phase Preclinical
Structure Type MOL
InChI Key FPFDAPLHFVEXKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
2.92
ALogP
3
HBA
4
HBD
98.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H13N3O3
MW 343.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... 1874734

Literature References

PubMed DOI Target Context # Activities
16933891 10.1021/np060269h Jurkat 1
1874734 10.1016/s0021-9258(18)98476-0 Unchecked 1

Data from ChEMBL 36 via Core Engine