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Compound Detail

CHEMBL4592796

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Cc1nc2cc(-c3ccccc3)nn2c(C)c1C(OC(C)(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4592796
Phase Preclinical
Structure Type MOL
InChI Key HQQFAUVXPCIXSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.95
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O3
MW 353.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
32081010 10.1021/acs.jmedchem.9b01681 Human immunodeficiency virus 1 1
32081010 10.1021/acs.jmedchem.9b01681 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine