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Compound Detail

CHEMBL4302473

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O=S(=O)(NCCN1CCNCC1)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302473
Phase Preclinical
Structure Type MOL
InChI Key BTQKKKXPFNNHRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
2.62
ALogP
7
HBA
4
HBD
98.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N6O2S
MW 472.66
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine