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Compound Detail

CHEMBL1182756

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CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182756
Phase Preclinical
Structure Type MOL
InChI Key HTDWCKNOXARIND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
2.51
ALogP
10
HBA
4
HBD
190.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N9O4S
MW 587.67
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine