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Compound Detail

CHEMBL5177840

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CN1CC2(CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Br)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177840
Phase Preclinical
Structure Type MOL
InChI Key BFJJPPOKYFTNCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

589.9
MW (Da)
6.16
ALogP
7
HBA
2
HBD
73.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31BrClN6OP
MW 589.91
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
34323489 10.1021/acs.jmedchem.1c00876 Unchecked 2

Data from ChEMBL 36 via Core Engine