TELOTRISTAT

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A16AX15
UNII: 381V4FCV2Z

Structure
InChI Key NCLGDOBQAWBXRA-PGRDOPGGSA-N
Smile Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1
InChI
InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22ClF3N6O3
Molecular Weight 546.94
AlogP 4.51
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 142.17
Molecular species ZWITTERION
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tryptophan 5-hydroxylase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 16-16 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malignant Carcinoid Syndrome 3 D008303 ClinicalTrials
Colitis, Ulcerative 2 D003093 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103855
DrugBank DB14218
EPA CompTox DTXSID60145805
FDA SRS 381V4FCV2Z
PubChem 25025298
SureChEMBL SCHEMBL612353
ZINC ZINC000084758235
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