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Compound Detail

CHEMBL462280

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Cc1cccc(C)c1NC(=O)CSc1nnc(CN2CCOCC2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462280
Phase Preclinical
Structure Type MOL
InChI Key CCAZJSCSVLWBMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
1.99
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N5O2S
MW 375.50
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.67

Literature References

PubMed DOI Target Context # Activities
18783202 10.1021/jm800539g Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine