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Compound Detail

CHEMBL5979310

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N#CCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL5979310
Phase Preclinical
Structure Type MOL
InChI Key QYZKUEGXBLKMRW-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.58
ALogP
3
HBA
1
HBD
65.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4
MW 350.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.34

Activity Summary

IC50 6 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.12 6.12 750.0 3
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine