GAMITRINIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure
InChI Key PMARJMMYAAMURY-FATWHCHZSA-O
Smile CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O
InChI
InChI=1S/C53H66N3O8P/c1-36-31-44-49(55-29-18-7-8-19-30-65(41-23-12-9-13-24-41,42-25-14-10-15-26-42)43-27-16-11-17-28-43)46(57)35-45(51(44)59)56-52(60)37(2)21-20-22-40(62-5)34-47(64-53(54)61)38(3)33-39(4)50(58)48(32-36)63-6/h9-17,20-28,33,35-36,39-40,47-48,50,58H,7-8,18-19,29-32,34H2,1-6H3,(H3-,54,55,56,57,59,60,61)/p+1/b22-20-,37-21+,38-33+/t36-,39+,40+,47-,48+,50-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C53H67N3O8P+
Molecular Weight 905.11
AlogP 7.3
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 14.0
Polar Surface Area 166.28
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 65.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4646511
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