Structure

InChI Key MQHIQUBXFFAOMK-UHFFFAOYSA-N
Smile Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl
InChI
InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClN7O2S
Molecular Weight 473.99
AlogP 3.14
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 119.03
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor 1 inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 4 D012509 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Sarcoma 4 D012509 ClinicalTrials
Hemangiosarcoma 3 D006394 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Carcinoma, Medullary 2 D018276 ClinicalTrials
von Hippel-Lindau Disease 2 D006623 ClinicalTrials
Retroviridae Infections 2 D012192 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Urethral Neoplasms 2 D014523 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Adenocarcinoma, Follicular 1 D018263 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.25
Gastrointestinal disorders
15.81
Investigations
8.33
Nervous system disorders
7.32
Vascular disorders
6.03
Skin and subcutaneous tissue disorders
5.92
Respiratory, thoracic and mediastinal disorders
5.63
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.7
Metabolism and nutrition disorders
4.08
Musculoskeletal and connective tissue disorders
4.04
Cardiac disorders
4.01
Injury, poisoning and procedural complications
2.87
Renal and urinary disorders
2.68
Psychiatric disorders
2.32
Infections and infestations
2.23

Cross References

Resources Reference
ChEBI 71217
ChEMBL CHEMBL1201733
EPA CompTox DTXSID70212956
FDA SRS 33Y9ANM545
Guide to Pharmacology 5698
PubChem 11525740
SureChEMBL SCHEMBL159487
ZINC ZINC11617039