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Compound Detail

CHEMBL1197591

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C[N+]12CCC(CC1)C(c1ccc(N3CCOCC3)nc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197591
Phase Preclinical
Structure Type MOL
InChI Key ITBZZOUQIBTSHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
1.87
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N3O+
MW 288.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine