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Compound Detail

CHEMBL1178367

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COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2OC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178367
Phase Preclinical
Structure Type MOL
InChI Key XJGBNUACYDSVCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
3.10
ALogP
6
HBA
1
HBD
54.0
PSA (Ų)
0.65
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 C21H29N3O3S
MW 403.55
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.69

Data from ChEMBL 36 via Core Engine