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Compound Detail

CHEMBL4748946

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Oc1ccc(-c2cnc3c(N4CCNCC4)nc4ccccc4n23)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748946
Phase Preclinical
Structure Type MOL
InChI Key LVLCYGDSESIBSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.37
ALogP
7
HBA
3
HBD
85.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O2
MW 361.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
33309473 10.1016/j.ejmech.2020.113031 A-375 1

Data from ChEMBL 36 via Core Engine