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Compound Detail

CHEMBL3397620

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CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397620
Phase Preclinical
Structure Type MOL
InChI Key MQGVZJSGJLQEPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
3.73
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.91
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 C16H22Cl2N2O
MW 329.27
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
25528334 10.1016/j.ejmech.2014.12.018 Unchecked 3
25528334 10.1016/j.ejmech.2014.12.018 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine