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Compound Detail

CHEMBL5184348

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CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(ccc5ccccc54)c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184348
Phase Preclinical
Structure Type MOL
InChI Key KDUVLUDQCHDBSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

756.7
MW (Da)
8.07
ALogP
9
HBA
2
HBD
85.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H47BrN7O2P
MW 756.73
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
35413415 10.1016/j.bmcl.2022.128729 Epidermal growth factor receptor 1
35413415 10.1016/j.bmcl.2022.128729 BaF3 1
35413415 10.1016/j.bmcl.2022.128729 PC-9 1

Data from ChEMBL 36 via Core Engine