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Compound Detail

CHEMBL3104772

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CC(C)(C(=O)N[C@H](C(=O)NCCNCCO)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104772
Phase Preclinical
Structure Type MOL
InChI Key NFZYNNCHWHGBIM-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.5
MW (Da)
3.56
ALogP
4
HBA
4
HBD
90.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27F6N3O3
MW 519.49
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
24374277 10.1016/j.bmcl.2013.12.033 Neuromedin-K receptor 1
24374277 10.1016/j.bmcl.2013.12.033 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine