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Compound Detail

CHEMBL591374

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COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC

Basic Information

ChEMBL ID CHEMBL591374
Phase Preclinical
Structure Type MOL
InChI Key LFWQQQGBNHKOSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.08
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O3
MW 358.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional activator Myb
CHEMBL5169115
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20485428 10.1038/nature09099 Plasmodium falciparum 2
- 10.6019/CHEMBL4513135 Escherichia coli 1
36385941 10.1021/acsmedchemlett.2c00403 Transcriptional activator Myb 1

Data from ChEMBL 36 via Core Engine