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Compound Detail

CHEMBL3696067

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O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2cccc3ccccc23)oc1Cc1ccc(OP(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3696067
Phase Preclinical
Structure Type MOL
InChI Key VDQGWSJTSFBUOM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

582.6
MW (Da)
7.86
ALogP
5
HBA
3
HBD
121.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31N2O6P
MW 582.59
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.47

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
31810784 10.1016/j.ejmech.2019.111922 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine