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Compound Detail

CHEMBL561369

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COc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL561369
Phase Preclinical
Structure Type MOL
InChI Key LIGSZPKQICJMNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.85
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N4OS
MW 318.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine