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Compound Detail

CHEMBL5594216

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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594216
Phase Preclinical
Structure Type MOL
InChI Key WSNDAMKLJJLYPR-GNBZDBDDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

956.0
MW (Da)
6.91
ALogP
12
HBA
5
HBD
209.3
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H52Cl2N10O6S
MW 955.97
Aromatic Rings 6
Heavy Atoms 66
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
38908103 10.1016/j.ejmech.2024.116612 Fibroblast growth factor receptor 2 1
38908103 10.1016/j.ejmech.2024.116612 KATO III stomach cancer cell line 1

Data from ChEMBL 36 via Core Engine