Structure

InChI Key MDSQOJYHHZBZKA-GBXCKJPGSA-N
Smile CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1
InChI
InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H26ClF3N6O3
Molecular Weight 574.99
AlogP 4.99
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 131.17
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tryptophan 5-hydroxylase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoid Heart Disease 3 D002275 ClinicalTrials
Neuroendocrine Tumors 3 D018358 ClinicalTrials
Malignant Carcinoid Syndrome 2 D008303 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1033805-22-9
ChEMBL CHEMBL2105695
DrugBank DB12095
DrugCentral 5214
FDA SRS 8G388563M7
Guide to Pharmacology 9490
PubChem 25181577
SureChEMBL SCHEMBL610588
ZINC ZINC000043205655