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Compound Detail

CHEMBL1789437

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CCCCN(CCCC)c1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789437
Phase Preclinical
Structure Type MOL
InChI Key DCKAAUUMDTUMPG-GKPLWNPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
7.12
ALogP
5
HBA
0
HBD
54.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N4O
MW 450.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine