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Compound Detail

CHEMBL1561148

PROSTAGLANDIN B1
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CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1

Basic Information

ChEMBL ID CHEMBL1561148
Name PROSTAGLANDIN B1
Phase Preclinical
Structure Type MOL
InChI Key YBHMPNRDOVPQIN-VSOYFRJCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
4.57
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O4
MW 336.47
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.72

Activity Summary

Ki 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier organic anion transporter family member 2A1
CHEMBL2073680
Ki 7.15 7.15 71.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8863817 - Solute carrier organic anion transporter family member 2A1 1
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
29043803 10.1021/acs.jnatprod.6b01052 HL 1
29043803 10.1021/acs.jnatprod.6b01052 Chlamydia pneumoniae 1

Data from ChEMBL 36 via Core Engine