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Compound Detail

CHEMBL253636

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CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(N)s3)ccc2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253636
Phase Preclinical
Structure Type MOL
InChI Key VDEUFLSMJCUZSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
2.49
ALogP
6
HBA
1
HBD
79.5
PSA (Ų)
0.89
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 C17H20N4O2S2
MW 376.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.49

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