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Compound Detail

CHEMBL1199318

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Oc1ccc2c(CCC3CCNCC3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199318
Phase Preclinical
Structure Type MOL
InChI Key MEQHPPYLEAISCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.81
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O
MW 244.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine