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Compound Detail

CHEMBL5981096

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OCCn1cc(-c2cnc(Nc3cccc(Cl)c3Cl)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5981096
Phase Preclinical
Structure Type MOL
InChI Key OOZMTBCGVZLMGL-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.4
MW (Da)
4.77
ALogP
8
HBA
4
HBD
99.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2N7O
MW 496.40
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.44

Activity Summary

IC50 6 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 11.0 9.73 0.0 2
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.89 8.04 1.3 2
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.94 5.92 1150.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine