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Compound Detail

CHEMBL2115272

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C[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115272
Phase Preclinical
Structure Type MOL
InChI Key NFYHRIITTGWAQV-OXJNMPFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
4.47
ALogP
4
HBA
0
HBD
53.1
PSA (Ų)
0.65
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 C23H33Cl2N3O3
MW 470.44
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
11495592 10.1021/jm0108395 Kappa-type opioid receptor 1
11495592 10.1021/jm0108395 Mu-type opioid receptor 1
11495592 10.1021/jm0108395 Unchecked 1
11495592 10.1021/jm0108395 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine