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Compound Detail

CHEMBL1553368

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COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12.Cl.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1553368
Phase Preclinical
Structure Type MOL
InChI Key SEXIURXGNASJRB-UHFFFAOYSA-N
Parent Compound CHEMBL347534
Active Moiety CHEMBL347534
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
89.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN2O4
MW 398.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.30

Activity Summary

EC50 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 7.35 7.35 45.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 45.0 nM 7.35 PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... -

Data from ChEMBL 36 via Core Engine