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Compound Detail

CHEMBL4079682

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O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2nc3ccccc3s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079682
Phase Preclinical
Structure Type MOL
InChI Key UGEULLSDLPSYBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.6
MW (Da)
7.15
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26F4N4OS
MW 542.60
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -2.29

Literature References

PubMed DOI Target Context # Activities
29547693 10.1021/acs.jmedchem.7b01282 DCN1-like protein 1 1

Data from ChEMBL 36 via Core Engine