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Compound Detail

CHEMBL1760346

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O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760346
Phase Preclinical
Structure Type MOL
InChI Key OOOOOPQPIOKQNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.9
MW (Da)
4.71
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.65
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 C21H18ClF3N4O
MW 434.85
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.93

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
21376585 10.1016/j.bmcl.2011.02.033 Neuromedin-K receptor 2
21376585 10.1016/j.bmcl.2011.02.033 Liver microsomes 1
21376585 10.1016/j.bmcl.2011.02.033 Plasma 1

Data from ChEMBL 36 via Core Engine