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Compound Detail

CHEMBL544741

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Cl.O=C(O)CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544741
Phase Preclinical
Structure Type MOL
InChI Key MHUUAHYKRHEGFZ-UHFFFAOYSA-N
Parent Compound CHEMBL1193351
Active Moiety CHEMBL1193351
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClF2N2O2
MW 406.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.08

Literature References

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

Data from ChEMBL 36 via Core Engine