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Compound Detail

CHEMBL5619628

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C[C@H](N)C(=O)N1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5619628
Phase Preclinical
Structure Type MOL
InChI Key CRRHHKDYFJGBII-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
0.84
ALogP
9
HBA
3
HBD
140.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21ClN8OS
MW 408.92
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
39303516 10.1016/j.ejmech.2024.116830 Tyrosine-protein phosphatase non-receptor type 11 2

Data from ChEMBL 36 via Core Engine