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Compound Detail

CHEMBL1586152

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COC1(OC)N=C(N)C2(C#N)C(c3ccc4c(c3)OCO4)C12C#N

Basic Information

ChEMBL ID CHEMBL1586152
Phase Preclinical
Structure Type MOL
InChI Key PNKPXOCANVHXSM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
0.85
ALogP
8
HBA
1
HBD
122.9
PSA (Ų)
0.82
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 C16H14N4O4
MW 326.31
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.19

Activity Summary

EC50 2 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.22 4.22 59919.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.19 4.19 64302.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine