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Compound Detail

CHEMBL5425319

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COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(F)c(F)c3)[C@H](NC(=O)c3cc4c(s3)OCCn3ncc(Br)c3-4)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425319
Phase Preclinical
Structure Type MOL
InChI Key RATVXHGHRXHOMK-YADARESESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

679.6
MW (Da)
5.03
ALogP
8
HBA
1
HBD
102.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25BrF2N4O5S2
MW 679.57
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
37749892 10.1021/acs.jmedchem.3c00829 N2a 4
37749892 10.1021/acs.jmedchem.3c00829 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine