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Compound Detail

CHEMBL5197088

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CCc1cc(Nc2ncc(Br)c(Nc3cc4c5c(cccc5c3P(C)(C)=O)CC4)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197088
Phase Preclinical
Structure Type MOL
InChI Key QWNBPYPMGOPROP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

732.7
MW (Da)
7.01
ALogP
9
HBA
2
HBD
85.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H47BrN7O2P
MW 732.71
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.77

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