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Compound Detail

CHEMBL1200159

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COc1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200159
Phase Preclinical
Structure Type MOL
InChI Key QDLTTZGSVRQIKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
6.67
ALogP
5
HBA
0
HBD
38.8
PSA (Ų)
0.27
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 C29H29NO3S
MW 471.62
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine