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Compound Detail

CHEMBL5404131

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Cc1ccc(C(=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 CHEMBL5404131
Phase Preclinical
Structure Type MOL
InChI Key WZZDAOBKYFUPCU-YADARESESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

627.5
MW (Da)
5.78
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25BrF2N4O3S
MW 627.51
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.40

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