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Compound Detail

CHEMBL2109793

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C[C@H](/N=C(/S)Nc1ccncc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2109793
Phase Preclinical
Structure Type MOL
InChI Key TYNORQRGVYNOSO-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

237.4
MW (Da)
3.21
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.47
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 C12H19N3S
MW 237.37
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine