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Compound Detail

CHEMBL538990

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Cl.Fc1ccc(N(c2ccc(F)cc2)C2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538990
Phase Preclinical
Structure Type MOL
InChI Key GVFPNVADSOWHCE-UHFFFAOYSA-N
Parent Compound CHEMBL1189548
Active Moiety CHEMBL1189548
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
3.85
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClF2N2
MW 324.80
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
3941416 10.1021/jm00151a002 Rattus norvegicus 3
3941416 10.1021/jm00151a002 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine