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Compound Detail

CHEMBL1186765

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C[N+](C)(C)c1cc(O)cc(OCCCOc2cc(O)cc([N+](C)(C)C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186765
Phase Preclinical
Structure Type MOL
InChI Key KYKAASBPZQEFMK-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.34
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O4+2
MW 376.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine