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Compound Detail

CHEMBL279915

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COc1ccccc1COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279915
Phase Preclinical
Structure Type MOL
InChI Key QFNKNYNBWSXTJK-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.26
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.41
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 C26H24N2O4
MW 428.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
7513763 10.1021/jm00035a006 Substance-P receptor 1
7513763 10.1021/jm00035a006 Substance-K receptor 1
7513763 10.1021/jm00035a006 Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine