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Compound Detail

CHEMBL1468368

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O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1

Basic Information

ChEMBL ID CHEMBL1468368
Phase Preclinical
Structure Type MOL
InChI Key SUBNKBCWUDDWHQ-UHFFFAOYSA-N
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
2.20
ALogP
7
HBA
2
HBD
107.9
PSA (Ų)
0.48
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 C22H17N3O6
MW 419.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.98

Activity Summary

EC50 6 meas. best 5.38
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
EC50 5.38 5.38 4120.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.92 4.92 11887.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.78 4.78 16731.0 1
Unchecked
CHEMBL612545
EC50 4.73 4.62 18500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine