Details of the Drug

General Information of Drug (ID: DMW8N72)

Drug Name

XL-228

Synonyms

XL-228; 898280-07-4; XL228; UNII-33M2XSK003; 33M2XSK003; 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine; SCHEMBL11342904; CHEMBL3545085; AOB5553; EX-A1596; BCP08143; XL 228; ZINC203005669; AKOS030526975; CS-1648; NCGC00378978-05; SC-95574; AS-16897; HY-15749; AC-30228; 2,4-Pyrimidinediamine, N(sup 4)-(5-cyclopropyl-1H-pyrazol-3-yl)-N(sup 2)-((3-(1-methylethyl)-5-isoxazolyl)methyl)-6-(4-methyl-1-piperazinyl)-; KB-303240

Indication

Disease Entry	ICD 11	Status	REF
leukaemia	2A60-2B33	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C22H31N9O
Canonical SMILES: CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5
InChI: InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 59757974
ChEBI ID: CHEMBL3545085
CAS Number: 898280-07-4
UNII: 33M2XSK003
DrugBank ID: DB05184
TTD ID: D03ZXZ

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Combinatorial Drugs (CBD)

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References

1	ClinicalTrials.gov (NCT00526838) Study of XL228 Administered Intravenously to Subjects With Advanced Malignancies. U.S. National Institutes of Health.