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Compound Detail

CHEMBL5189203

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CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4ncn(C)n4)n3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189203
Phase Preclinical
Structure Type MOL
InChI Key YSSQGRCQGILIQP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.0
MW (Da)
4.16
ALogP
9
HBA
2
HBD
87.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN9
MW 490.02
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
 IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 36.0 nM 7.44 Inhibition of human Axl using KKSRGDYMTMQIG as substrate incubated for 40 mins i... 36325401

Literature References

PubMed DOI Target Context # Activities
36325401 10.1039/d2md00153e Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine