Details of the Drug

General Information of Drug (ID: DMEYNB0)

Drug Name
MEN-11149
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 600.7
Logarithm of the Partition Coefficient (xlogp) 7.4
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C38H40N4O3
IUPAC Name
N-[(1S,2R)-2-[[1-[methyl-[2-(4-methylphenyl)acetyl]amino]-2-naphthalen-2-ylethyl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
Canonical SMILES
CC1=CC=C(C=C1)CC(=O)N(C)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCC[C@@H]4NC(=O)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C38H40N4O3/c1-25-15-17-26(18-16-25)23-36(43)42(2)35(22-27-19-20-28-9-3-4-10-29(28)21-27)41-37(44)31-12-6-8-14-34(31)40-38(45)32-24-39-33-13-7-5-11-30(32)33/h3-5,7,9-11,13,15-21,24,31,34-35,39H,6,8,12,14,22-23H2,1-2H3,(H,40,45)(H,41,44)/t31-,34+,35?/m1/s1
InChIKey
DTPDRMYRFVVGJZ-SKZJHLMYSA-N
Cross-matching ID
PubChem CID
101940285
TTD ID
D0T4IQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Substance-P receptor (TACR1) TTZPO1L NK1R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Substance-P receptor (TACR1) DTT TACR1 7.40E-01 0.02 0.07
Substance-P receptor (TACR1) DTT TACR1 8.57E-01 -0.02 -0.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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 800009948)
2 Pharmacology of the peptidomimetic, MEN 11149, a new potent, selective and orally effective tachykinin NK1 receptor antagonist. Eur J Pharmacol. 1998 Jan 12;341(2-3):201-9.