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Compound Detail

CHEMBL2023350

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Cc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1

Basic Information

ChEMBL ID CHEMBL2023350
Phase Preclinical
Structure Type MOL
InChI Key VDLPZFPQISBPJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.91
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N6O
MW 388.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 30.0 nM 7.52 Inhibition of AXL kinase 22247788

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
22247788 10.1021/ml200198x Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine