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Compound Detail

CHEMBL5557444

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Cc1cccc(-c2nc(NC(=O)[C@@H](N)Cc3ccccc3)sc2-c2ccc3ncnn3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557444
Phase Preclinical
Structure Type MOL
InChI Key ZMPCOKJFHOETEL-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
3.73
ALogP
8
HBA
2
HBD
111.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N7OS
MW 455.55
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.36

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