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Compound Detail

CHEMBL4116734

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CCCCc1cc(OC2CCN(CCCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116734
Phase Preclinical
Structure Type MOL
InChI Key ULSSDVVGTBLGMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.7
MW (Da)
4.53
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.56
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 C25H39N3O3S
MW 461.67
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine