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Compound Detail

CHEMBL4641820

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CN(C(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641820
Phase Preclinical
Structure Type MOL
InChI Key MBCIASJGMFPSJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.68
ALogP
5
HBA
1
HBD
70.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26FN5O2
MW 435.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
32063403 10.1016/j.bmc.2020.115354 Protein smoothened 1

Data from ChEMBL 36 via Core Engine