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

General Information of Drug (ID: DR0873)
Drug Name
E-7070
Synonyms
Indisulam; Indisulam (IND); E-7070; ER-35744; Indisulam (USAN/INN); WJ98J3NM90; indisulam (e7070); 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-; 165668-41-7; 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; AC1L50QL; AC1Q6VCX; CHEMBL77517; E 7070; E7070; N-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide; N-(3-Chloro-1H-indol-7-yl)benzene-1,4disulfonamide; N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; SCHEMBL91389; UNII-WJ98J3NM90
Indication Breast cancer [ICD11: 2C60] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 385.8 Topological Polar Surface Area 139
Heavy Atom Count 24 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
216468
PubChem SID
9372911 ; 12015040 ; 14902746 ; 30420152 ; 46511460 ; 47206369 ; 49879993 ; 50885085 ; 53790787 ; 57399788 ; 103276735 ; 103832676 ; 113461710 ; 117631365 ; 126671562 ; 129225625 ; 134341871 ; 135135024 ; 137094473 ; 140360685 ; 165247707 ; 172821404 ; 176225599 ; 178103625 ; 179294234 ; 184527860 ; 198956059 ; 215780859 ; 223661106 ; 226469362 ; 252215593
ChEBI ID
CHEBI:145431
CAS Number
165668-41-7
TTD Drug ID
D04IIU
Formula
C14H12ClN3O4S2
Canonical SMILES
C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
InChI
1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey
SETFNECMODOHTO-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
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007446 E-7070 Unclear Unclear CYP2C9 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT00014625) E7070 in Treating Patients With Stage IV Melanoma.
2 PK/PD model of indisulam and capecitabine: interaction causes excessive myelosuppression. Clin Pharmacol Ther. 2008 Jun;83(6):829-39.
3 CYP2C9 and CYP2C19 polymorphic forms are related to increased indisulam exposure and higher risk of severe hematologic toxicity. Clin Cancer Res. 2007 May 15;13(10):2970-6.

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