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Compound Detail

CHEMBL1188365

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O=C(OCc1ccccc1)C1CN=CNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188365
Phase Preclinical
Structure Type MOL
InChI Key JMMSIYKMDNGODL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
0.98
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
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 C12H14N2O2
MW 218.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine