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Compound Detail

CHEMBL4787642

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COc1ccc(-c2cnc3c(NCCNC(=O)OC(C)(C)C)nc4ccccc4n23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787642
Phase Preclinical
Structure Type MOL
InChI Key FEFXEBYAGAEYPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
4.50
ALogP
8
HBA
2
HBD
99.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O4
MW 463.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.17

Literature References

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

Data from ChEMBL 36 via Core Engine