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Compound Detail

CHEMBL1611294

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CCOc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1611294
Phase Preclinical
Structure Type MOL
InChI Key SFQOBGJTPXPJNS-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.63
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19FN2O5
MW 398.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Guanyl-specific ribonuclease T1
CHEMBL1075043
 IC50 4.55 4.55 28034.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Guanyl-specific ribonuclease T1 IC50 = 28034.0 nM 4.55 PUBCHEM_BIOASSAY: Counterscreen for inhibitors of tRNA 2'-phosphotransferas... -

Data from ChEMBL 36 via Core Engine