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Compound Detail

CHEMBL5774385

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CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccccc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5774385
Phase Preclinical
Structure Type MOL
InChI Key REEXHUDUDMELRT-OYDLWJJNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
5.53
ALogP
6
HBA
2
HBD
83.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N5O2
MW 489.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor TYRO3 IC50 = 750.0 nM 6.12 Activity Assay: Activity Against Tyro3 Tyrosine Kinase. -

Data from ChEMBL 36 via Core Engine