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Compound Detail

CHEMBL4545696

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Cc1cnc(NC(=O)CCCOc2cc(C#N)ccn2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545696
Phase Preclinical
Structure Type MOL
InChI Key NKBQAZCTPKOQSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.52
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O2S
MW 302.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.48

Literature References

PubMed DOI Target Context # Activities
30973727 10.1021/acs.jmedchem.9b00462 Protein Tat 1
30973727 10.1021/acs.jmedchem.9b00462 HEK293 1

Data from ChEMBL 36 via Core Engine