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Compound Detail

CHEMBL555049

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Cl.Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC(F)(F)F)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555049
Phase Preclinical
Structure Type MOL
InChI Key FYXMKYUEPLSVBV-BTQNPOSSSA-N
Parent Compound CHEMBL1195630
Active Moiety CHEMBL1195630
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

335.3
MW (Da)
3.78
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClF3NO2
MW 371.79
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
2136919 10.1021/jm00163a007 D(1A) dopamine receptor 1
2136919 10.1021/jm00163a007 D(2) dopamine receptor 1
2136919 10.1021/jm00163a007 Dopamine receptor 1
2136919 10.1021/jm00163a007 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine