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Compound Detail

CHEMBL5424777

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O=C(N[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424777
Phase Preclinical
Structure Type MOL
InChI Key CBNVPJOTRQVATB-FDDCHVKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

613.5
MW (Da)
5.47
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23BrF2N4O3S
MW 613.48
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.36

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