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Compound Detail

CHEMBL3039910

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OCCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039910
Phase Preclinical
Structure Type MOL
InChI Key KDFNTDVGIIBYHB-WHOFXGATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
1.70
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.79
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 C15H22N2O2
MW 262.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine