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Compound Detail

CHEMBL216629

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COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216629
Phase Preclinical
Structure Type MOL
InChI Key IRNCRYZAAPHVSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

993.3
MW (Da)
10.06
ALogP
11
HBA
3
HBD
155.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
30
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C58H76N10O5
MW 993.31
Aromatic Rings 5
Heavy Atoms 73
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine