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Compound Detail

CHEMBL1506697

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O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccnc1

Basic Information

ChEMBL ID CHEMBL1506697
Phase Preclinical
Structure Type MOL
InChI Key LUHBGDYRWHQERQ-GQCTYLIASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.46
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.87
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 C15H12N2O3
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.84

Activity Summary

EC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.18 5.18 6643.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 6643.0 nM 5.18 PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... -

Data from ChEMBL 36 via Core Engine