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Compound Detail

CHEMBL4796958

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O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796958
Phase Preclinical
Structure Type MOL
InChI Key ABPZLAWJJJAAAR-SVBPBHIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
4.07
ALogP
3
HBA
3
HBD
94.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N4O3
MW 494.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.82

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