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Compound Detail

CHEMBL6056708

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NCC1(c2cccc(-c3nc(NC4CCCCC4)nc4[nH]ccc34)c2)Cc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL6056708
Phase Preclinical
Structure Type MOL
InChI Key JBWBUVHWDBAJIY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
5.36
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5
MW 437.59
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.48

Activity Summary

IC50 3 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine