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Compound Detail

CHEMBL5555369

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Cc1cccc(-c2nc(NC(=O)[C@@H]3CCCCN3)sc2-c2ccc3ncnn3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555369
Phase Preclinical
Structure Type MOL
InChI Key YNYLDDRHQAELIL-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.30
ALogP
8
HBA
2
HBD
97.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N7OS
MW 419.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
38508118 10.1016/j.ejmech.2024.116311 Mitogen-activated protein kinase 14 1
38508118 10.1016/j.ejmech.2024.116311 TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine