TELOTRISTAT

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Synonyms
Status
Molecule Category Free-form
ATC A16AX15
UNII 381V4FCV2Z
EPA CompTox DTXSID60145805

Structure

InChI Key NCLGDOBQAWBXRA-PGRDOPGGSA-N
Smiles 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

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

Related Entries

Cross References

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