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Compound Detail

CHEMBL534042

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COc1ccc2nccc([C@H](O)CN3CCC(NCc4ccc5c(c4C)OCCO5)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL534042
Phase Preclinical
Structure Type MOL
InChI Key RMLKZXPYTSTTTA-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.01
ALogP
8
HBA
2
HBD
89.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N4O4
MW 464.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine