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Compound Detail

CHEMBL3770176

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COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1C(NC(C)=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770176
Phase Preclinical
Structure Type MOL
InChI Key QZZCCTGOKYSMFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.99
ALogP
5
HBA
1
HBD
61.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O4
MW 394.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00320B BJAB 4

Data from ChEMBL 36 via Core Engine