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Compound Detail

CHEMBL3315217

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O=C(O)CNC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3315217
Phase Preclinical
Structure Type MOL
InChI Key YCBOHNZIWXUYKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.66
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.57
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 C22H18N2O3
MW 358.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
24997685 10.1016/j.bmcl.2014.06.033 Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine