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Compound Detail

CHEMBL1501508

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COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL1501508
Phase Preclinical
Structure Type MOL
InChI Key UDBULEMYJGHWPM-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
5.72
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.36
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 C26H22FN3O2
MW 427.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

EC50 7 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.96 5.96 1096.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.66 5.66 2197.0 1
Neurotensin receptor type 1
CHEMBL4123
EC50 5.62 5.62 2400.0 1
BJ
CHEMBL614358
EC50 5.31 5.12 4860.0 3
Unchecked
CHEMBL612545
EC50 4.98 4.98 10377.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine