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Compound Detail

CHEMBL1187783

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CCCCCN(CCCCC)c1ccc2nc3ccc(N4CCCCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187783
Phase Preclinical
Structure Type MOL
InChI Key JGJOVVZQNANVFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
7.44
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N3O+
MW 420.62
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine