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Compound Detail

CHEMBL69335

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CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69335
Phase Preclinical
Structure Type MOL
InChI Key RBCQFSWWMJWSAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
7.12
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32Cl2N2O
MW 495.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80694-0 Cavia porcellus 2
- 10.1016/S0960-894X(00)80694-0 Substance-K receptor 1
- 10.1016/S0960-894X(00)80694-0 Oryctolagus cuniculus 1
12798336 10.1016/s0960-894x(03)00343-3 Substance-K receptor 1
12798336 10.1016/s0960-894x(03)00343-3 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine