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Compound Detail

CHEMBL1193478

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COc1ccc(-n2nnnc2S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193478
Phase Preclinical
Structure Type MOL
InChI Key LHCAJNSBYDLUII-ICSRJNTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
1.66
ALogP
9
HBA
2
HBD
111.0
PSA (Ų)
0.57
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 C21H26N6O3S
MW 442.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine