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Compound Detail

CHEMBL300467

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Clc1ncc(C2CC3CCC2N3)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300467
Phase Preclinical
Structure Type MOL
InChI Key NDLUTXUSZVZZIR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.6
MW (Da)
2.95
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12ClIN2
MW 334.59
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.97

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
12361403 10.1021/jm0202268 Rattus norvegicus 5
15050621 10.1016/j.bmcl.2004.02.007 Mus musculus 4
15050621 10.1016/j.bmcl.2004.02.007 Neuronal acetylcholine receptor; alpha4/beta2 1
12361403 10.1021/jm0202268 Unchecked 1

Data from ChEMBL 36 via Core Engine