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Compound Detail

CHEMBL112500

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CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112500
Phase Preclinical
Structure Type MOL
InChI Key GKAVENCEJOIXHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

873.2
MW (Da)
8.22
ALogP
10
HBA
3
HBD
160.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H68N10O4
MW 873.16
Aromatic Rings 4
Heavy Atoms 64
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine