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Compound Detail

CHEMBL45278

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CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45278
Phase Preclinical
Structure Type MOL
InChI Key BDGXZMAYXTZKCG-ALYLKEMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
5.99
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34N2O3
MW 458.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
8648606 10.1021/jm950892r Neuromedin-K receptor 1
- 10.1016/0960-894X(95)00313-I Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine