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Compound Detail

CHEMBL1180601

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Oc1ccc2c(c1)OC(CNCCCOc1cccc3[nH]ccc13)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180601
Phase Preclinical
Structure Type MOL
InChI Key MSCOCRBMEUIKRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.63
ALogP
4
HBA
3
HBD
66.5
PSA (Ų)
0.57
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 C21H24N2O3
MW 352.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine