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Compound Detail

CHEMBL5768915

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CCCCNc1ncc2c(-c3ccc(F)cc3)nc(C[C@H]3CC[C@H](N)CC3)n2n1

Basic Information

ChEMBL ID CHEMBL5768915
Phase Preclinical
Structure Type MOL
InChI Key NOBHFSHRWNCRAO-RZDIXWSQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
4.20
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29FN6
MW 396.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.52 6.52 300.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine