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Compound Detail

CHEMBL1303193

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COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL1303193
Phase Preclinical
Structure Type MOL
InChI Key VBASGZPOQCXMLJ-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
5.41
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20FN3O2
MW 413.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.21

Activity Summary

EC50 4 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
EC50 6.09 6.09 807.3 1
Unchecked
CHEMBL612545
EC50 5.51 5.51 3090.0 1
Neurotensin receptor type 1
CHEMBL4123
EC50 5.24 5.24 5800.0 1
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 4.46 4.46 34600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine