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Compound Detail

CHEMBL5914720

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NCCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL5914720
Phase Preclinical
Structure Type MOL
InChI Key HOTXJAFFHUWHEU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.01
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4
MW 354.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.20

Activity Summary

IC50 3 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.12 6.12 750.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine