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Compound Detail

CHEMBL1183742

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

Basic Information

ChEMBL ID CHEMBL1183742
Phase Preclinical
Structure Type MOL
InChI Key GDEOTOXKKWDFKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
2.26
ALogP
7
HBA
5
HBD
198.0
PSA (Ų)
0.22
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 C25H23N5O6S
MW 521.56
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine