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Compound Detail

CHEMBL1364290

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COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1364290
Phase Preclinical
Structure Type MOL
InChI Key ASANWFPJRXOLPD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
4.99
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O2
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.12 5.12 7634.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7634.0 nM 5.12 PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... -

Data from ChEMBL 36 via Core Engine