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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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)

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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.