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Compound Detail

CHEMBL221370

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COC(=O)C1(c2ccc(N)cc2)CC1CN1CCN(c2ccccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221370
Phase Preclinical
Structure Type MOL
InChI Key MZKDCLUYXDNCBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
1.92
ALogP
6
HBA
1
HBD
71.7
PSA (Ų)
0.64
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 C21H26N4O2
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
17328523 10.1021/jm0611197 Sigma non-opioid intracellular receptor 1 1
17328523 10.1021/jm0611197 Unchecked 1

Data from ChEMBL 36 via Core Engine