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Compound Detail

CHEMBL3040847

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N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2cn(Cc3cccs3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040847
Phase Preclinical
Structure Type MOL
InChI Key LJLRZRUHARLSSJ-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.44
ALogP
7
HBA
1
HBD
100.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6OS
MW 406.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine