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Compound Detail

CHEMBL1181158

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N=C(N)c1cccc(-n2nncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181158
Phase Preclinical
Structure Type MOL
InChI Key BWSHEIOUBFDLNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
2.12
ALogP
7
HBA
4
HBD
169.8
PSA (Ų)
0.25
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 C22H19N7O3S
MW 461.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine