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Compound Detail

CHEMBL1963459

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c1ccc(CN/C(=N/C2CCCCC2)SCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963459
Phase Preclinical
Structure Type MOL
InChI Key KEILDXMRCDDBSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.55
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4S
MW 356.54
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine