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Compound Detail

CHEMBL4777440

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COc1ccc(-c2cnc3c(N4CCN(C(=O)OC(C)(C)C)CC4)nc4ccccc4n23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777440
Phase Preclinical
Structure Type MOL
InChI Key VPYQPGMTPGHULK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.62
ALogP
8
HBA
0
HBD
81.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N5O4
MW 489.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.20

Literature References

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

Data from ChEMBL 36 via Core Engine