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Compound Detail

CHEMBL1183909

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C/C(=N\OCc1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183909
Phase Preclinical
Structure Type MOL
InChI Key JHBSXNBQQPVNCJ-JJIBRWJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.36
ALogP
4
HBA
1
HBD
59.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine