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Compound Detail

CHEMBL4788202

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

Basic Information

ChEMBL ID CHEMBL4788202
Phase Preclinical
Structure Type MOL
InChI Key BUGQHORRADGONS-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.52
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O3
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.29

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