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Compound Detail

CHEMBL3039975

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c1ncc([C@@H]2C[C@H]2CCN2CCOCC2)cc1OC[C@@H]1CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039975
Phase Preclinical
Structure Type MOL
InChI Key XTWPCGAWTWUDSI-UWWQBHOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.65
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.83
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 C18H27N3O2
MW 317.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine