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Compound Detail

CHEMBL5780844

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CCC[C@H](C)Nc1ncc2c(C3CCN(C)C3)cn([C@H]3CC[C@H](O)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5780844
Phase Preclinical
Structure Type MOL
InChI Key YMSJHHQEJSJLEI-CLTRGCNDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
3.93
ALogP
6
HBA
2
HBD
66.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35N5O
MW 385.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.53

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