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Compound Detail

CHEMBL5836589

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Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)ncc34)CC2)cc(C)n1

Basic Information

ChEMBL ID CHEMBL5836589
Phase Preclinical
Structure Type MOL
InChI Key HZTIIALBILLWKM-SOAUALDESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.7
MW (Da)
5.15
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N6O2
MW 516.69
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.83

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