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Compound Detail

CHEMBL5200242

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COc1cc2c(cc1Nc1ncc(Br)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200242
Phase Preclinical
Structure Type MOL
InChI Key KCALPMNDTLQRTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.4
MW (Da)
4.97
ALogP
7
HBA
2
HBD
79.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrN5O2P
MW 516.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
35696642 10.1021/acs.jmedchem.2c00172 Mitogen-activated protein kinase kinase kinase kinase 1 1

Data from ChEMBL 36 via Core Engine