Details of the Drug

General Information of Drug (ID: DM5NFEA)

Drug Name

CYM2503

Synonyms

CYM-2503

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

765.9

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C44H55N5O7
IUPAC Name: tert-butyl N-[(4S)-4-[[(2S)-2-(9,9a-dihydro-4aH-fluoren-9-ylmethoxycarbonylamino)-3-cyclohexylpropanoyl]amino]-5-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-5-oxopentyl]carbamate
Canonical SMILES: CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC4C5C=CC=CC5C6=CC=CC=C46
InChI: InChI=1S/C44H55N5O7/c1-27-23-39(50)47-37-25-29(20-21-30(27)37)46-40(51)36(19-12-22-45-42(53)56-44(2,3)4)48-41(52)38(24-28-13-6-5-7-14-28)49-43(54)55-26-35-33-17-10-8-15-31(33)32-16-9-11-18-34(32)35/h8-11,15-18,20-21,23,25,28,31,33,35-36,38H,5-7,12-14,19,22,24,26H2,1-4H3,(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,49,54)/t31?,33?,35?,36-,38-/m0/s1
InChIKey: DSRPDMJWEFCXMI-GHKFOJCISA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Galanin receptor (GAL-R)	TTOPAY7	GALR1_HUMAN ; GALR2_HUMAN ; GALR3_HUMAN	Modulator (allosteric modulator)	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	GalR2-positive allosteric modulator exhibits anticonvulsant effects in animal models. Proc Natl Acad Sci U S A. 2010 Aug 24;107(34):15229-34.