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Compound Detail

CHEMBL253855

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CC(=O)Nc1ncc(Sc2ccc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253855
Phase Preclinical
Structure Type MOL
InChI Key CUWZDYBXVJSLOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.87
ALogP
6
HBA
1
HBD
82.6
PSA (Ų)
0.83
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 C19H22N4O3S2
MW 418.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
18055203 10.1016/j.bmcl.2007.11.076 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine