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Compound Detail

CHEMBL4444251

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Cc1cc(C#N)cc(C)c1Oc1nc(NC2CC3CCC(C2)N3Cc2ccncc2)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444251
Phase Preclinical
Structure Type MOL
InChI Key OYNNPPBPPSHNSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
5.97
ALogP
8
HBA
1
HBD
87.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N6OS
MW 496.64
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
30624934 10.1021/acs.jmedchem.8b01656 Unchecked 1
30624934 10.1021/acs.jmedchem.8b01656 TZM 1
30624934 10.1021/acs.jmedchem.8b01656 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine