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Compound Detail

CHEMBL307465

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O=C1NCCN1CCN1CCN(C(=O)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL307465
Phase Preclinical
Structure Type MOL
InChI Key ICPKTAVYZBVYRF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
0.47
ALogP
3
HBA
1
HBD
55.9
PSA (Ų)
0.88
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 C16H22N4O2
MW 302.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
IC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2903929 10.1021/jm00120a003 Rattus norvegicus 2
2903929 10.1021/jm00120a003 Mus musculus 1
2903929 10.1021/jm00120a003 Serotonin 2 (5-HT2) receptor 1
2903929 10.1021/jm00120a003 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine