Details of the Drug

General Information of Drug (ID: DML9DH8)

Drug Name
galmic
Synonyms galmic; CHEMBL1187471; GTPL6119
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 989.1
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 15
Chemical Identifiers
Formula
C51H60N10O11
IUPAC Name
methyl (2S)-6-amino-2-[[(4R,11R,18R)-11-(cyclohexylmethylcarbamoyl)-18-(9H-fluoren-9-ylcarbamoyl)-4,7,11,14,18,21-hexamethyl-2,9,16-trioxo-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-4-carbonyl]amino]hexanoate
Canonical SMILES
CC1=C2C(=O)N[C@@](C3=NC(=C(O3)C)C(=O)N[C@@](C4=NC(=C(O4)C)C(=O)N[C@@](C(=N2)O1)(C)C(=O)NCC5CCCCC5)(C)C(=O)N[C@@H](CCCCN)C(=O)OC)(C)C(=O)NC6C7=CC=CC=C7C8=CC=CC=C68
InChI
InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1
InChIKey
DOHGPSDHRIKTDB-KBAHWNQNSA-N
Cross-matching ID
PubChem CID
24748735
TTD ID
D08FGR

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 Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Galmic, a nonpeptide galanin receptor agonist, affects behaviors in seizure, pain, and forced-swim tests. Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10470-5.