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Compound Detail

CHEMBL5206545

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Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCCCCc2ccccc2)C3)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206545
Phase Preclinical
Structure Type MOL
InChI Key JYVDDEDKBFKSGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.70
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2S
MW 462.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.34

Literature References

PubMed DOI Target Context # Activities
35476936 10.1021/acs.jmedchem.2c00004 143B 1

Data from ChEMBL 36 via Core Engine