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Compound Detail

CHEMBL4117325

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O=C(NCCCCN1CC[N+]2(CCOc3ccccc32)CC1)c1cc2ccccn2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117325
Phase Preclinical
Structure Type MOL
InChI Key VWGCBHSNAGFTHA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.56
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N5O2+
MW 420.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine