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Compound Detail

CHEMBL357320

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FC(F)(F)c1cccc(N2CCN(C3=Nc4cccnc4Nc4ccc(Cl)cc43)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357320
Phase Preclinical
Structure Type MOL
InChI Key OHLQKXSLNYKMJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

457.9
MW (Da)
5.71
ALogP
5
HBA
1
HBD
43.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClF3N5
MW 457.89
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
12408724 10.1021/jm0104825 D(4) dopamine receptor 1
12408724 10.1021/jm0104825 5-hydroxytryptamine receptor 2A 1
12408724 10.1021/jm0104825 Adrenergic receptor alpha-1 1
12408724 10.1021/jm0104825 D(2) dopamine receptor 1
12408724 10.1021/jm0104825 Dopamine receptors; D2 & D4 1
12408724 10.1021/jm0104825 Unchecked 1

Data from ChEMBL 36 via Core Engine