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Compound Detail

CHEMBL558417

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

Basic Information

ChEMBL ID CHEMBL558417
Phase Preclinical
Structure Type MOL
InChI Key NPHXFGHJWTUJMQ-BTQNPOSSSA-N
Parent Compound CHEMBL1196863
Active Moiety CHEMBL1196863
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
4.42
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClF5NO2
MW 421.79
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.70

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

Data from ChEMBL 36 via Core Engine