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Compound Detail

CHEMBL3547659

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c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCCCC23CCCCN2CCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547659
Phase Preclinical
Structure Type MOL
InChI Key FAEDIFWTJXLJRY-UQQUJRAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

583.8
MW (Da)
9.13
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H45N5
MW 583.82
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine