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Compound Detail

CHEMBL1500

DIHYDROMORPHINE
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CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5

Basic Information

ChEMBL ID CHEMBL1500
Name DIHYDROMORPHINE
Phase Preclinical
Structure Type MOL
InChI Key IJVCSMSMFSCRME-KBQPJGBKSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
1.42
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO3
MW 287.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.28

Activity Summary

Kd 5 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL270
Kd 9.7 8.85 0.2 2
Delta-type opioid receptor
CHEMBL269
Kd 7.0 7.0 100.0 1
Opioid receptor
CHEMBL2094129
Kd 6.7 6.7 200.0 1
Kappa-type opioid receptor
CHEMBL3614
Kd 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3007760 10.1021/jm00154a018 Opioid receptor 4
3007760 10.1021/jm00154a018 Mu-type opioid receptor 2
3007760 10.1021/jm00154a018 Delta-type opioid receptor 1
3007760 10.1021/jm00154a018 Kappa-type opioid receptor 1
17827020 10.1016/j.bmc.2007.07.050 Skin 1
22341895 10.1016/j.ejmech.2012.01.025 Mus musculus 1
24249037 10.1007/s11095-013-1232-z No relevant target 1

Data from ChEMBL 36 via Core Engine