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Compound Detail

CHEMBL3039974

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

Basic Information

ChEMBL ID CHEMBL3039974
Phase Preclinical
Structure Type MOL
InChI Key ZHNXIJJJQBDJJO-JKOKRWQUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.79
ALogP
4
HBA
2
HBD
71.5
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 C15H20N2O3
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.55

Data from ChEMBL 36 via Core Engine