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Compound Detail

CHEMBL1186932

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CCN(CC)c1ccc2nc3ccc(N4CCCCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186932
Phase Preclinical
Structure Type MOL
InChI Key ZXTQDRNFLXIVGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.10
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N3O+
MW 336.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine