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Compound Detail

CHEMBL2000516

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CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2000516
Phase Preclinical
Structure Type MOL
InChI Key YRKIQFXNGJGFOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.81
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4OS
MW 302.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.85

Data from ChEMBL 36 via Core Engine