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Compound Detail

CHEMBL1164404

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BrC1=NOC2CC3CCC(N3)C12.O=C(O)/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164404
Phase Preclinical
Structure Type MOL
InChI Key OLKOEFJECUQOJR-WLHGVMLRSA-N
Parent Compound CHEMBL1199690
Active Moiety CHEMBL1199690
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.1
MW (Da)
1.23
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15BrN2O5
MW 347.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.10

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
20478710 10.1016/j.bmc.2010.04.065 Neuronal acetylcholine receptor; alpha4/beta2 1
20478710 10.1016/j.bmc.2010.04.065 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine