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Compound Detail

CHEMBL3305460

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CCCNC(=N)Nc1ccc(OCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3305460
Phase Preclinical
Structure Type MOL
InChI Key ITZQSUQXGGPUSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.43
ALogP
2
HBA
3
HBD
57.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3O
MW 221.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine