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Compound Detail

CHEMBL3547635

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Clc1ccc(-n2c3c/c(=N/CCCCC45CCCCN4CCCC5)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547635
Phase Preclinical
Structure Type MOL
InChI Key BTYMJKIHMVXXJT-RZLPTWENSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

591.2
MW (Da)
8.40
ALogP
6
HBA
1
HBD
58.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H39ClN6
MW 591.20
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine