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Compound Detail

CHEMBL1585982

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C=CCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1

Basic Information

ChEMBL ID CHEMBL1585982
Phase Preclinical
Structure Type MOL
InChI Key KSBQVHUJCKXUPQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.76
ALogP
7
HBA
1
HBD
122.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O3
MW 388.43
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.45

Activity Summary

EC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.03 5.03 9409.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.9 4.9 12537.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine