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Compound Detail

CHEMBL1179666

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CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179666
Phase Preclinical
Structure Type MOL
InChI Key OAHPPGDAFVCFGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
2.20
ALogP
7
HBA
4
HBD
173.6
PSA (Ų)
0.31
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 C23H22N6O4S
MW 478.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine