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Compound Detail

CHEMBL173553

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O=C(CCCN1CCN(CC(=O)c2ccccc2)CC1)NC1c2ccccc2CSc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173553
Phase Preclinical
Structure Type MOL
InChI Key GHARLGUMQHLHLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
4.78
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N3O2S
MW 499.68
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine