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Compound Detail

CHEMBL1277945

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CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277945
Phase Preclinical
Structure Type MOL
InChI Key WPTKZYWBXZTWHJ-XLNRJJMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
4.59
ALogP
3
HBA
0
HBD
35.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O
MW 367.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
32623209 10.1016/j.ejmech.2020.112515 Unchecked 2
20947359 10.1016/j.bmc.2010.09.050 Replicase polyprotein 1ab 1
20947359 10.1016/j.bmc.2010.09.050 Genome polyprotein 1
20947359 10.1016/j.bmc.2010.09.050 HEK293 1

Data from ChEMBL 36 via Core Engine