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Compound Detail

CHEMBL5618658

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Nc1nc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cnc1Sc1ccnc(N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5618658
Phase Preclinical
Structure Type MOL
InChI Key QMMGSFGHXRDOIC-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.0
MW (Da)
1.24
ALogP
9
HBA
3
HBD
126.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23ClN8OS
MW 434.96
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.12

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