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Compound Detail

CHEMBL5787215

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CCCCNc1ncc2c(-c3ccnc(N4CCNCC4)c3)nc([C@H]3CC[C@H](O)CC3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5787215
Phase Preclinical
Structure Type MOL
InChI Key KIKQLNBBABMITB-UAPYVXQJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
2.83
ALogP
9
HBA
3
HBD
103.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N8O
MW 450.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

IC50 1 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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 300.0 nM 6.52 TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... -

Data from ChEMBL 36 via Core Engine