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Compound Detail

CHEMBL5178361

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CN(C)C(=O)c1cc2cnc(Sc3cnc(N4CCC(C)(N)CC4)cn3)nc2n1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178361
Phase Preclinical
Structure Type MOL
InChI Key GVCQNZMEWRAQES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.51
ALogP
9
HBA
1
HBD
106.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N8OS
MW 480.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
35447031 10.1021/acs.jmedchem.2c00063 Tyrosine-protein phosphatase non-receptor type 11 1
35447031 10.1021/acs.jmedchem.2c00063 CDK4/Cyclin D3 1

Data from ChEMBL 36 via Core Engine