Details of the Drug

General Information of Drug (ID: DMK2B3S)

Drug Name

ENB003

Synonyms

AAY8R26VDX; Vodudeutentan sodium; BQ-788, di(methyl-d)-; UNII-AAY8R26VDX; ENB003; ENB-003; 2364572-10-9; D-Norleucine, N-((cis-2,6-di(methyl-d)-1-piperidinyl)carbonyl)-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, sodium salt; Enb 003; CHEMBL5095234; ENB 003 [WHO-DD]; BQ 788-d2

Indication

Disease Entry	ICD 11	Status	REF
Melanoma	2C30	Phase 1/2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecule

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C34H50N5NaO7
Canonical SMILES: CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+]
InChI: InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1/i2D,3D;
InChIKey: QCVIFBRTTLMEOV-ZOHSNMQTSA-M

Cross-matching ID

PubChem CID: 145722637
DrugBank ID: DB17340
TTD ID: DUOX13

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Endothelin B receptor (EDNRB)	TT3ZTGU	EDNRB_HUMAN	Antagonist	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04205227) A Phase 1/2A Trial of ENB 003 in Combination With Pembrolizumab in Subjects With Advanced Solid Tumors. U.S.National Institutes of Health.