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Compound Detail

CHEMBL5408209

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O=c1[nH]c2ccccc2c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408209
Phase Preclinical
Structure Type MOL
InChI Key XRLNTMYUIGCMAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.63
ALogP
5
HBA
1
HBD
82.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22F2N4O3
MW 476.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
37465293 10.1021/acsmedchemlett.3c00063 Raji 2

Data from ChEMBL 36 via Core Engine