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Compound Detail

CHEMBL1962812

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COc1cccc(CN2CCCn3c(c4c(=O)n(-c5ccccc5OC)[nH]c4cc3=O)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962812
Phase Preclinical
Structure Type MOL
InChI Key DQKCDKBMEPYLJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
2.90
ALogP
7
HBA
1
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N4O4
MW 446.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine