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Compound Detail

CHEMBL408781

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c1ccc(-c2nc(-c3ccc(OCCCN4CCCC4)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408781
Phase Preclinical
Structure Type MOL
InChI Key GPXYLIURGLLSSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
5.34
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2OS
MW 364.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine