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Compound Detail

CHEMBL5964168

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CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn(CC3CCC(N)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5964168
Phase Preclinical
Structure Type MOL
InChI Key RUBBARHADSLEAV-VUIBPRDZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.8
MW (Da)
5.58
ALogP
7
HBA
2
HBD
102.0
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H45N7O
MW 531.75
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.56 6.56 275.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor TYRO3 IC50 = 275.0 nM 6.56 Activity Assay: Activity Against Tyro3 Tyrosine Kinase. -

Data from ChEMBL 36 via Core Engine