Details of the Drug

General Information of Drug (ID: DM18R6J)

Drug Name
(Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid
Synonyms
Chaetomellic acid A; CHEMBL103955; 148796-51-4; AC1MI36H; (Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid; ZINC14276303; BDBM50059863; (Z)-2-methyl-3-tetradecylbut-2-enedioic acid; 2-Butenedioic acid, 2-methyl-3-tetradecyl-, (Z)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 326.5
Logarithm of the Partition Coefficient (xlogp) 7.2
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H34O4
IUPAC Name
(Z)-2-methyl-3-tetradecylbut-2-enedioic acid
Canonical SMILES
CCCCCCCCCCCCCC/C(=C(\\C)/C(=O)O)/C(=O)O
InChI
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/b17-16-
InChIKey
ULSDRNDLXFVDED-MSUUIHNZSA-N
Cross-matching ID
PubChem CID
3037595
ChEBI ID
CHEMBL103955
CAS Number
148796-51-4
TTD ID
D0VD2C
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CAAX farnesyltransferase beta (FNTB) TT7WZIJ FNTB_HUMAN Inhibitor [1]
Farnesyl protein transferase (Ftase) TTXQKM3 FNTA_HUMAN ; FNTB_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Farnesyl protein transferase (Ftase) DTT FNTB; FNTA 5.43E-01 -0.1 -0.4
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References

1 Ras farnesyltransferase: a new therapeutic target. J Med Chem. 1997 Sep 12;40(19):2971-90.