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Compound Detail

CHEMBL1188580

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NCCCCNCCCCNCc1ccc(CNCCCCNCCCCN)c(CNCCCCNCCCCN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188580
Phase Preclinical
Structure Type MOL
InChI Key TXGOPVMTDNGLAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.0
MW (Da)
2.28
ALogP
9
HBA
9
HBD
150.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
33
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H69N9
MW 591.98
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine