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Compound Detail

CHEMBL1196512

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Cc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196512
Phase Preclinical
Structure Type MOL
InChI Key OYHQFSZATDLNIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.8
MW (Da)
8.71
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H44N4
MW 520.77
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine