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Compound Detail

CHEMBL1951812

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Cc1cc(F)ccc1[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951812
Phase Preclinical
Structure Type MOL
InChI Key JNSYLTHKBVSSSE-UXHICEINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

547.5
MW (Da)
4.25
ALogP
3
HBA
1
HBD
83.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F7N3O3
MW 547.47
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
22189275 10.1016/j.bmc.2011.11.048 Cavia porcellus 3
22189275 10.1016/j.bmc.2011.11.048 Liver microsomes 1
22189275 10.1016/j.bmc.2011.11.048 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine