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Compound Detail

CHEMBL1313763

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Cc1nc(OCc2ccccc2)c2ccccc2n1

Basic Information

ChEMBL ID CHEMBL1313763
Phase Preclinical
Structure Type MOL
InChI Key MOOFDTSQAZINTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.52
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.71
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 C16H14N2O
MW 250.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.03 5.03 9433.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9433.0 nM 5.03 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... -

Data from ChEMBL 36 via Core Engine