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Compound Detail

CHEMBL1386428

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CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1386428
Phase Preclinical
Structure Type MOL
InChI Key JLTWYQDXJFXTQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.06
ALogP
8
HBA
2
HBD
102.1
PSA (Ų)
0.54
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 C20H26N4O4S
MW 418.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.47

Data from ChEMBL 36 via Core Engine