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Compound Detail

CHEMBL4777281

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CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(C(=O)N2CCC(NC(C)=O)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777281
Phase Preclinical
Structure Type MOL
InChI Key UEZXOXSTMHZOTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
0.75
ALogP
6
HBA
3
HBD
136.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F2N6O5
MW 492.48
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
33859795 10.1021/acsmedchemlett.0c00547 TAK1/TAB1 1

Data from ChEMBL 36 via Core Engine