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Compound Detail

CHEMBL1184196

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COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccs2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184196
Phase Preclinical
Structure Type MOL
InChI Key WGMYZADUDVJWCW-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.6
MW (Da)
3.49
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O2S
MW 399.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.72

Data from ChEMBL 36 via Core Engine