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Compound Detail

CHEMBL3770181

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NC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770181
Phase Preclinical
Structure Type MOL
InChI Key YFMXZHPHSROBEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N5O
MW 341.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
26685880 10.1021/acs.jmedchem.5b01089 Structural capsid protein 1
26685880 10.1021/acs.jmedchem.5b01089 Human immunodeficiency virus 1 1
26685880 10.1021/acs.jmedchem.5b01089 ADMET 1

Data from ChEMBL 36 via Core Engine