Structure

InChI Key KRTIYQIPSAGSBP-KLAILNCOSA-N
Smile C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChI
InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24ClFN2O
Molecular Weight 410.92
AlogP 6.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 41.99
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Indoleamine 2,3-dioxygenase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Melanoma 3 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Skin Neoplasms 3 D012878 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 2 D000077195 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297598
FDA SRS 0A7729F42K
Guide to Pharmacology 9707
PubChem 121328278
SureChEMBL SCHEMBL18826792