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Compound Detail

CHEMBL4293513

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Cl.N#Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1

Basic Information

ChEMBL ID CHEMBL4293513
Phase Preclinical
Structure Type MOL
InChI Key AWTWYYASYTZOIT-UHFFFAOYSA-N
Parent Compound CHEMBL3085983
Active Moiety CHEMBL3085983
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.32
ALogP
5
HBA
2
HBD
94.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN5O2
MW 427.94
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.34 8.34 4.6 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.84 7.84 14.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine