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Compound Detail

CHEMBL1618487

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O=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618487
Phase Preclinical
Structure Type MOL
InChI Key MOEDYMLNDOBXOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
4.72
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO2
MW 371.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine