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Compound Detail

CHEMBL4117137

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

Basic Information

ChEMBL ID CHEMBL4117137
Phase Preclinical
Structure Type MOL
InChI Key QTQRWXSELPXXAV-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)
0.44
QED
0
Ro5 Violations
13
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 -1.10

Data from ChEMBL 36 via Core Engine