Structure

InChI Key LTEJRLHKIYCEOX-OCCSQVGLSA-N
Smile Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
InChI
InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24FN5O4
Molecular Weight 441.46
AlogP 3.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 116.76
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 649735-63-7
ChEBI 167656
ChEMBL CHEMBL270995
DrugBank DB11865
EPA CompTox DTXSID20215295
FDA SRS U2Y5OFN795
Guide to Pharmacology 8097
PubChem 11154925
SureChEMBL SCHEMBL483382
ZINC ZINC000029134440