Details of the Drug

General Information of Drug (ID: DMKZN3A)

Drug Name

Golotimod

Synonyms

229305-39-9; SCV-07; gamma-D-Glu-L-trp; SCV07; gamma-D-Glutamyl-L-tryptophan; SCV 07; UNII-637C487Y09; 637C487Y09; (R)-2-Amino-5-(((S)-1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-5-oxopentanoic acid; Golotimod [USAN:INN]; (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid; (2R)-2-Amino-5-(((1S)-1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-5-oxopentanoic acid; Golotimod (USAN/INN); GAMMA-D-GLU-TRP-OH; H-D-Glu(L-Trp-OH)-OH; SCHEMBL727944; (gamma-glutamyl-L-tryptophan); CHEMBL2103812; Golotimod (oral); Golotimod (oral), SciClone/Verta; SCV-07 (oral, tuberculosis), SciClone/Verta

Indication

Disease Entry	ICD 11	Status	REF
Immune System disease	4A01-4B41	Phase 2	[1]
Inflammation	1A00-CA43.1	Discontinued in Phase 2	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

333.34

Logarithm of the Partition Coefficient (xlogp)

-2.7

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C16H19N3O5
IUPAC Name: (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N
InChI: InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1
InChIKey: CATMPQFFVNKDEY-YPMHNXCESA-N

Cross-matching ID

PubChem CID: 6992140
CAS Number: 229305-39-9
DrugBank ID: DB05475
TTD ID: D02MRN

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Signal transducer and activator of transcription 3 (STAT3)	TTH8FZW	STAT3_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Immune System disease

ICD Disease Classification

4A01-4B41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Signal transducer and activator of transcription 3 (STAT3)	DTT	STAT3	6.50E-03	-0.12	-0.21

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	ClinicalTrials.gov (NCT00756951) Dose Ranging Study to Assess the Safety and Efficacy of SCV-07 for the Delay to Onset of Severe Oral Mucositis in Patients Receiving Chemoradiation Therapy for Head and Neck Cancer. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of SciClone.
3	National Cancer Institute Drug Dictionary (drug id 617379).