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Compound Detail

CHEMBL97590

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C[C@H](C1CN(c2ccccc2)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97590
Phase Preclinical
Structure Type MOL
InChI Key OYRXYIUNONBFEX-FKSKYRLFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
4.74
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.66
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 C24H29Cl2N3O
MW 446.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.22

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