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Compound Detail

CHEMBL140833

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Oc1nc(N2CCN(CCCC(O)c3ccc(F)cc3)CC2)ncc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140833
Phase Preclinical
Structure Type MOL
InChI Key PEPKQWOGJXYSSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.10
ALogP
6
HBA
2
HBD
72.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22F2N4O2
MW 364.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
1361578 10.1021/jm00102a002 Rattus norvegicus 3
1361578 10.1021/jm00102a002 D(2) dopamine receptor 1
1361578 10.1021/jm00102a002 Adrenergic receptor alpha-1 1
1361578 10.1021/jm00102a002 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine