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Compound Detail

CHEMBL4210437

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Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(NC(=O)Cc1c(C)[nH]c2ccccc12)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210437
Phase Preclinical
Structure Type MOL
InChI Key FBWOONKFJAYLGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
4.51
ALogP
4
HBA
3
HBD
91.8
PSA (Ų)
0.38
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 C25H24F3N5O2
MW 483.49
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
30212625 10.1021/acs.jmedchem.8b01106 Kallikrein-6 1
30212625 10.1021/acs.jmedchem.8b01106 Trypsin 1

Data from ChEMBL 36 via Core Engine