Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1898)
Drug Name
LY-317615
Synonyms
Enzastaurin; Enzastaurin (LY317615); LY-317615; LY317615; UC96G28EQF; 170364-57-5; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione; 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione; AK-60903; C32H29N5O2; CHEMBL300138; DSSTox_CID_24029; DSSTox_GSID_44029; DSSTox_RID_80101; UNII-UC96G28EQF
Indication Mantle cell lymphoma [ICD11: 2A85] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 515.6 Topological Polar Surface Area 72.2
Heavy Atom Count 39 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
176167
PubChem SID
10258360 ; 14811491 ; 33499842 ; 50653190 ; 57288469 ; 92722604 ; 99436960 ; 103240316 ; 104020050 ; 104425375 ; 118855345 ; 124756967 ; 125163772 ; 125434326 ; 126627253 ; 126666986 ; 131465124 ; 134338799 ; 134964387 ; 135237310 ; 135686208 ; 135686209 ; 135686224 ; 135686225 ; 136340265 ; 136367952 ; 136920322 ; 137248831 ; 137275839 ; 142964159 ; 143498272 ; 144115944 ; 144206918 ; 152134183 ; 152233034 ; 152258187 ; 152344347 ; 152344363 ; 160647023 ; 160814256 ; 162011915 ; 162037408 ; 162191234 ; 162801883 ; 163372664 ; 163894051 ; 164840960 ; 170465609 ; 172913635 ; 174527910
ChEBI ID
CHEBI:91368
CAS Number
170364-57-5
TTD Drug ID
D0I6VU
Formula
C32H29N5O2
Canonical SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7
InChI
1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
InChIKey
AXRCEOKUDYDWLF-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
LSN326020 DM003326 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003758 LY-317615 LSN326020 Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 The oral protein-kinase C beta inhibitor enzastaurin (LY317615) suppresses signalling through the AKT pathway, inhibits proliferation and induces apoptosis in multiple myeloma cell lines. Leuk Lymphoma. 2008 Jul;49(7):1374-83.
2 Phase I study of enzastaurin and bevacizumab in patients with advanced cancer: safety, efficacy and pharmacokinetics. Invest New Drugs. 2013 Jun;31(3):653-60.
3 A pharmacokinetic and safety study of a fixed oral dose of enzastaurin HCl in native Chinese patients with refractory solid tumors and lymphoma

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