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Compound Detail

CHEMBL1093175

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O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093175
Phase Preclinical
Structure Type MOL
InChI Key PZLMKSJVPSKOHP-WOJBJXKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
2.24
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N2O2
MW 342.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine