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Compound Detail

CHEMBL5266778

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CN(C(=O)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1ccc(F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266778
Phase Preclinical
Structure Type MOL
InChI Key MZXAZXVCEXHGHP-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.35
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN3O
MW 339.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
34423983 10.1021/acs.jmedchem.1c00653 ADMET 3

Data from ChEMBL 36 via Core Engine