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Compound Detail

CHEMBL231262

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O=C(O)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231262
Phase Preclinical
Structure Type MOL
InChI Key SIDMXIZFPRSMBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
3.31
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.74
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 C20H20ClF2N3O3
MW 423.85
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
17803293 10.1021/jm070714l 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine