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Compound Detail

CHEMBL1185853

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N=C(N)c1cccc(C2=NOC(Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185853
Phase Preclinical
Structure Type MOL
InChI Key JIAYVDPPILTWKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
2.08
ALogP
9
HBA
4
HBD
191.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N8O4S
MW 544.60
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine