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Compound Detail

CHEMBL1621407

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O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621407
Phase Preclinical
Structure Type MOL
InChI Key OQDSNEKQMIAGFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.99
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O2
MW 346.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine