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Compound Detail

CHEMBL258238

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CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CNCCC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258238
Phase Preclinical
Structure Type MOL
InChI Key MWGWVSREKKGECN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.98
ALogP
5
HBA
3
HBD
113.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N6O2
MW 418.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
18495479 10.1016/j.bmcl.2008.04.059 Macrophage colony-stimulating factor 1 receptor 1
18495479 10.1016/j.bmcl.2008.04.059 ADMET 1

Data from ChEMBL 36 via Core Engine