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Compound Detail

CHEMBL5755857

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NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccc(-c3cccnc3)cc2C1

Basic Information

ChEMBL ID CHEMBL5755857
Phase Preclinical
Structure Type MOL
InChI Key WLKQMGBHXOCTLR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.68
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5
MW 417.52
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.43

Activity Summary

IC50 3 meas. best 5.7

Target Activity Profile

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

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine