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Compound Detail

CHEMBL4102895

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COC(=O)c1ccccc1NC(=O)CSc1nc2c(C)cccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102895
Phase Preclinical
Structure Type MOL
InChI Key ZIHSDLLMPWYVGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.39
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3S
MW 355.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
28650658 10.1021/acs.jmedchem.7b00587 PRMT5/MEP50 complex 1

Data from ChEMBL 36 via Core Engine