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Compound Detail

CHEMBL4798833

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CN(C(=O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798833
Phase Preclinical
Structure Type MOL
InChI Key NXLKDJMDSCCRJP-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
4.23
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O2
MW 397.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
32438252 10.1016/j.ejmech.2020.112427 Human immunodeficiency virus 1 1
32438252 10.1016/j.ejmech.2020.112427 TZM 1
32438252 10.1016/j.ejmech.2020.112427 Unchecked 1

Data from ChEMBL 36 via Core Engine