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Compound Detail

CHEMBL4116791

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CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116791
Phase Preclinical
Structure Type MOL
InChI Key NZGLSOKQCCNTMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.7
MW (Da)
5.45
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43N3O3S
MW 501.74
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine