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Compound Detail

CHEMBL2107024

REVOSPIRONE
🧪 Phase II
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🧪 Phase II
O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(c2ncccn2)CC1

Basic Information

ChEMBL ID CHEMBL2107024
Name REVOSPIRONE
Phase Phase II
Structure Type MOL
InChI Key MPLTZRTXQLNGED-UHFFFAOYSA-N

Known Names

Revospirona Revospirone
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
2
Known Names

Molecular Properties

387.5
MW (Da)
0.83
ALogP
7
HBA
0
HBD
86.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -spirone

Extended Properties

Molecular Formula C18H21N5O3S
MW 387.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.88

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33839253 10.1016/j.bmcl.2021.128028 5-hydroxytryptamine receptor 1A 1
33839253 10.1016/j.bmcl.2021.128028 Adrenergic receptor alpha-1 1
33839253 10.1016/j.bmcl.2021.128028 D(2) dopamine receptor 1
33839253 10.1016/j.bmcl.2021.128028 D(3) dopamine receptor 1
33839253 10.1016/j.bmcl.2021.128028 D(4) dopamine receptor 1
33839253 10.1016/j.bmcl.2021.128028 D(1B) dopamine receptor 1
33839253 10.1016/j.bmcl.2021.128028 5-hydroxytryptamine receptor 2A 1
33839253 10.1016/j.bmcl.2021.128028 5-hydroxytryptamine receptor 2C 1
33839253 10.1016/j.bmcl.2021.128028 D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine