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Compound Detail

CHEMBL596803

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CC(=O)Nc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596803
Phase Preclinical
Structure Type MOL
InChI Key CPFQNXKICZNUDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
2.55
ALogP
6
HBA
1
HBD
66.3
PSA (Ų)
0.74
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 C21H24N6O
MW 376.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
20153652 10.1016/j.bmc.2010.01.040 Unchecked 1
20153652 10.1016/j.bmc.2010.01.040 5-hydroxytryptamine receptor 1A 1
20153652 10.1016/j.bmc.2010.01.040 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine