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Compound Detail

CHEMBL1180597

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Oc1ccc2c(c1)OC(CNCCCOc1ccc3ocnc3c1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180597
Phase Preclinical
Structure Type MOL
InChI Key DAQQNLJMVSQRSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.29
ALogP
6
HBA
2
HBD
76.8
PSA (Ų)
0.63
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 C20H22N2O4
MW 354.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.07

Data from ChEMBL 36 via Core Engine