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Compound Detail

CHEMBL1194089

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COc1ccc(CCN2CCN(c3ccccc3OC)CC2)cc1OCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194089
Phase Preclinical
Structure Type MOL
InChI Key VMYVUXDFCVFDSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.69
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N2O3
MW 446.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine