Details of the Drug

General Information of Drug (ID: DMATEL0)

• Drug Name: Vorsetuzumab mafodotin

Indication

Disease Entry	ICD 11	Status	REF
Renal cell carcinoma	2C90	Discontinued in Phase 1	[1]

• Drug Type: Antibody
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 1046.3
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 31
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 15
• Chemical Identifiers:
  Formula: C52H83N7O13S
  IUPAC Name: (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
  Canonical SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)N
  InChI: InChI=1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1
  InChIKey: BXTJCSYMGFJEID-XMTADJHZSA-N
• Cross-matching ID:
  PubChem CID: 86278355
  DrugBank ID: DB15352
  TTD ID: D08WTE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CD70 antigen (CD27-L)	TTNCIE0	CD70_HUMAN	Not Available	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Renal cell carcinoma
• ICD Disease Classification: 2C90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
CD70 antigen (CD27-L)	DTT	CD70	1.53E-09	0.76	2.84

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020387)
• [2] National Cancer Institute Drug Dictionary (drug id 660730).