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Compound Detail

CHEMBL3040327

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Clc1ccc2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2ccc(Cl)cc21)NCCCCCN3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040327
Phase Preclinical
Structure Type MOL
InChI Key FGORDJYEMPTAFE-YESHOFFLSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
6.75
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32Cl2N4+2
MW 495.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine