Structure

InChI Key UJOUWHLYTQFUCU-WXXKFALUSA-N
Smile CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C62H92N16O10
Molecular Weight 1221.52
AlogP 2.7
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 121.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase receptor FLT3 inhibitor FDA PubMed Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 4 D015470 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
14.46
General disorders and administration site conditions
12.12
Investigations
11.02
Infections and infestations
10.4
Gastrointestinal disorders
6.46
Respiratory, thoracic and mediastinal disorders
6.46
Vascular disorders
5.54
Nervous system disorders
4.55
Injury, poisoning and procedural complications
4.49
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.06
Metabolism and nutrition disorders
3.75
Cardiac disorders
3.57
Skin and subcutaneous tissue disorders
3.2
Renal and urinary disorders
2.4
Hepatobiliary disorders
2.15

Cross References

Resources Reference
ChEMBL CHEMBL3301603
FDA SRS 5RZZ0Z1GJT
PubChem 76970819
SureChEMBL SCHEMBL21819929