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Compound Detail

CHEMBL4293523

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CC1(C)CC=C(c2nc(CC(=O)NCCCO)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293523
Phase Preclinical
Structure Type MOL
InChI Key GGEATUMQMQSXHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
2.56
ALogP
6
HBA
4
HBD
143.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N6O3
MW 436.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 2.4 nM 8.62 Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... -

Data from ChEMBL 36 via Core Engine