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Compound Detail

CHEMBL5795939

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CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)C3)cn([C@H]3CC[C@H](O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5795939
Phase Preclinical
Structure Type MOL
InChI Key HMLAOGYJGKIMSB-BNYUOSKZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.7
MW (Da)
5.15
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.46
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N6O2
MW 504.68
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.91

Activity Summary

IC50 2 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
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine