TU-100

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N3KQ8A1E0X

Structure
InChI Key KAYRGFYBCCETPE-UHFFFAOYSA-N
Smile CN1C2C(=O)c3ccccc3C1C1=C2C(=O)c2ccccc2C1=O
InChI
InChI=1S/C20H13NO3/c1-21-16-10-6-2-3-7-11(10)20(24)17(21)15-14(16)18(22)12-8-4-5-9-13(12)19(15)23/h2-9,16-17H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H13NO3
Molecular Weight 315.33
AlogP 2.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 54.45
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Crohn Disease 2 D003424 ClinicalTrials
Irritable Bowel Syndrome 2 D043183 ClinicalTrials
Constipation 2 D003248 ClinicalTrials
Ileus 2 D045823 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1310907-71-1
ChEMBL CHEMBL4297331
DrugBank DB12467
FDA SRS N3KQ8A1E0X
PubChem 72942015
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