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Compound Detail

CHEMBL366382

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CC(=O)NC1(c2ccccc2)CCN(CCC(CNC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366382
Phase Preclinical
Structure Type MOL
InChI Key YJNZRHCZFWPFOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
6.02
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33Cl2N3O2
MW 538.52
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.97

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

Data from ChEMBL 36 via Core Engine