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Compound Detail

CHEMBL1517376

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CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1517376
Phase Preclinical
Structure Type MOL
InChI Key PBRIMTJJMFPCKV-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
3.17
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.69
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 C17H15NO3
MW 281.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.01

Activity Summary

EC50 1 meas. best 4.66
IC50 1 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Guanyl-specific ribonuclease T1
CHEMBL1075043
IC50 5.67 5.67 2133.0 1
Ion channel NompC
CHEMBL1293245
EC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine