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Compound Detail

CHEMBL1181720

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COCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/CCCCCCOc2ccc(Cl)cc2)NC#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181720
Phase Preclinical
Structure Type MOL
InChI Key PLJNQDKDHCHOED-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

593.1
MW (Da)
3.90
ALogP
9
HBA
2
HBD
136.5
PSA (Ų)
0.04
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39ClN5O7+
MW 593.10
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine