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Compound Detail

CHEMBL95476

ARCYRIAFLAVIN C
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O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3cc(O)ccc3c21

Basic Information

ChEMBL ID CHEMBL95476
Name ARCYRIAFLAVIN C
Phase Preclinical
Structure Type MOL
InChI Key COUUDSNRXUXNDW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.25
ALogP
4
HBA
5
HBD
118.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H11N3O4
MW 357.33
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness 0.56

Activity Summary

IC50 2 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5461
IC50 5.75 5.75 1800.0 1
Zinc finger protein GLI2
CHEMBL5119
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14611848 10.1016/s0960-894x(03)00592-4 HeLa 2
17531487 10.1016/j.bmcl.2007.05.033 Unchecked 1
19309080 10.1021/jm801420y Zinc finger protein GLI1 1
19309080 10.1021/jm801420y Zinc finger protein GLI2 1

Data from ChEMBL 36 via Core Engine