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Compound Detail

CHEMBL3782109

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CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3782109
Phase Preclinical
Structure Type MOL
InChI Key SSWIQIUOBLUKHT-VQTJNVASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
2.51
ALogP
4
HBA
2
HBD
61.6
PSA (Ų)
0.89
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 C21H26N4O
MW 350.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
32435381 10.1021/acsmedchemlett.9b00604 Lysine-specific histone demethylase 1A 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine