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Compound Detail

CHEMBL5081619

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CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2c(N)cccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5081619
Phase Preclinical
Structure Type MOL
InChI Key YUXHIDLQHBKQEP-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.68
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O2
MW 426.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
33750123 10.1021/acs.jmedchem.0c01810 Human immunodeficiency virus 1 1
33750123 10.1021/acs.jmedchem.0c01810 Unchecked 1

Data from ChEMBL 36 via Core Engine