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Compound Detail

CHEMBL1187471

GALMIC
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COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@](C)(C(=O)NC2c3ccccc3-c3ccccc32)NC(=O)c2nc(oc2C)[C@](C)(C(=O)NCC2CCCCC2)NC(=O)c2nc1oc2C

Basic Information

ChEMBL ID CHEMBL1187471
Name GALMIC
Phase Preclinical
Structure Type MOL
InChI Key DOHGPSDHRIKTDB-KBAHWNQNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

989.1
MW (Da)
4.19
ALogP
15
HBA
7
HBD
305.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H60N10O11
MW 989.10
Aromatic Rings 5
Heavy Atoms 72
NP-Likeness -0.03

Activity Summary

Ki 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 1
CHEMBL4894
Ki 4.47 4.47 34200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 1 Ki = 34200.0 nM 4.47 Binding affinity to human GalR1 20121116

Literature References

PubMed DOI Target Context # Activities
20121116 10.1021/jm9018349 Galanin receptor type 1 1
20121116 10.1021/jm9018349 Galanin receptor type 2 1

Data from ChEMBL 36 via Core Engine