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Compound Detail

CHEMBL1190758

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CCCOc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190758
Phase Preclinical
Structure Type MOL
InChI Key QAWKIWAFXDRQKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
5.34
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2OS
MW 366.53
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine