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Compound Detail

CHEMBL1206414

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O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c5c(sc4n3)COCC5)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206414
Phase Preclinical
Structure Type MOL
InChI Key JSMBCYZOTATXKS-UJYKQDJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.69
ALogP
7
HBA
1
HBD
84.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O4S2
MW 361.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine