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Compound Detail

CHEMBL174762

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OC(CCCN1CC[C@@H]2C(C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174762
Phase Preclinical
Structure Type MOL
InChI Key HVWWOIDJLSKQLV-HHZPJPPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
5.93
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27F3N2O
MW 452.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 23.0 nM 7.64 Inhibition of [3H]spiroperidol binding to rat striatal membrane using 0.5 nM lig... 6105220

Literature References

PubMed DOI Target Context # Activities
6105220 10.1021/jm00182a025 Rattus norvegicus 4

Data from ChEMBL 36 via Core Engine