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Compound Detail

CHEMBL3547607

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OCC[C@H]1C[C@@H]1c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547607
Phase Preclinical
Structure Type MOL
InChI Key PEAGCBDUMAQJJR-ZIEJDFEHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
1.22
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3O
MW 273.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine