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Compound Detail

CHEMBL3968740

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CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3968740
Phase Preclinical
Structure Type MOL
InChI Key RIUQREUAFRCKLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

665.2
MW (Da)
9.28
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H37ClN6O
MW 665.24
Aromatic Rings 7
Heavy Atoms 49
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine