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Compound Detail

CHEMBL273770

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COc1cc(C(=N)N)c(OC)cc1CC(C)N

Basic Information

ChEMBL ID CHEMBL273770
Phase Preclinical
Structure Type MOL
InChI Key YOQFMMMXNWVHDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
0.88
ALogP
4
HBA
3
HBD
94.3
PSA (Ų)
0.52
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 C12H19N3O2
MW 237.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.25

Activity Summary

Ki 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
Ki 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2308135 10.1021/jm00165a023 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine