Drug Information

Drug General Information
Drug ID
D09TXG
Former ID
DIB003069
Drug Name
CEMADOTIN HYDROCHLORIDE
Synonyms
LU-103793; Cemadotin hydrochloride < Prop INNM >; N,N-Dimethyl-L-valyl-L-valyl-L-(N-methyl)-valyl-L-prolyl-L-proline benzylamide hydrochloride
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Discontinued in Phase 2 [546200]
Structure
Download
2D MOL

3D MOL
Formula
C35H56N6O5
Canonical SMILES
CC(C)C(C(=O)N1CCCC1C(=O)N(C(=O)C2CCCN2CC3=CC=CC=C3)C(=O<br />)C(C(C)C)NC(=O)C(C(C)C)N(C)C)NC
InChI
1S/C35H56N6O5/c1-22(2)28(36-7)34(45)40-20-14-18-27(40)33(44)41(32(43)26-17-13-19-39(26)21-25-15-11-10-12-16-25)35(46)29(23(3)4)37-31(42)30(24(5)6)38(8)9/h10-12,15-16,22-24,26-30,36H,13-14,17-21H2,1-9H3,(H,37,42)/t26-,27-,28-,29-,30-/m0/s1
InChIKey
LSIZJZZMXCWHBR-IIZANFQQSA-N
CAS Number
CAS 159776-69-9
PubChem Compound ID
178028
PubChem Substance ID
33501355, 50067913, 51016784, 57395593, 104426870, 180371099
Target and Pathway
Target(s) Tubulin beta Target Info Modulator [534776], [551871]
KEGG Pathway Phagosome
Gap junction
Pathogenic Escherichia coli infection
NetPath Pathway FSH Signaling Pathway
TCR Signaling Pathway
EGFR1 Signaling Pathway
PANTHER Pathway Cytoskeletal regulation by Rho GTPase
Huntington disease
Reactome Regulation of PLK1 Activity at G2/M Transition
Loss of Nlp from mitotic centrosomes
Recruitment of mitotic centrosome proteins and complexes
Loss of proteins required for interphase microtubule organization?from the centrosome
Anchoring of the basal body to the plasma membrane
WikiPathways Parkin-Ubiquitin Proteasomal System pathway
Pathogenic Escherichia coli infection
Mitotic G2-G2/M phases
References
Ref 546200Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006853)
Ref 534776Suppression of microtubule dynamics by binding of cemadotin to tubulin: possible mechanism for its antitumor action. Biochemistry. 1998 Dec 15;37(50):17571-8.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

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