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Compound Detail

CHEMBL1927701

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COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cccc([N+](=O)[O-])c1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927701
Phase Preclinical
Structure Type MOL
InChI Key RVYIFYASMPMXRF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.18
ALogP
6
HBA
1
HBD
93.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O5
MW 413.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.24

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
22055714 10.1016/j.bmc.2011.10.046 Unchecked 1
22055714 10.1016/j.bmc.2011.10.046 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine