Details of the Drug

General Information of Drug (ID: DMBKESW)

Drug Name

XL888

Synonyms

5-((R)-sec-Butylamino)-N1-(8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide; SCHEMBL2425587; CHEMBL2204502; MolPort-035-395-767; EX-A1668; s7122; AKOS027253610; NCGC00386261-01; HY-13313; KB-81507; SC-95577; CS-0003194; SW219489-1

Indication

Disease Entry	ICD 11	Status	REF
Gastrointestinal cancer	2C11	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C29H37N5O3
Canonical SMILES: CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N
InChI: 1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m1/s1
InChIKey: LHGWWAFKVCIILM-LAQKFSSHSA-N

Cross-matching ID

PubChem CID: 57748689
TTD ID: D0V9MR

References

1	ClinicalTrials.gov (NCT03095781) Pembrolizumab and XL888 in Patients With Advanced Gastrointestinal Cancer. U.S. National Institutes of Health.