DP001

Search structure
Synonyms:
2MD
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key UHMPCVGLSKFXHR-NAQZCRMNSA-N
Smile C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O
InChI
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O3
Molecular Weight 416.65
AlogP 5.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 1
- - - 0-0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperparathyroidism, Secondary 2 D006962 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials
Osteoporosis, Postmenopausal 1 D015663 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL605525
Guide to Pharmacology 2776
PDB VDZ
SureChEMBL SCHEMBL4889032
ZINC ZINC000004394162
CONTENTS