TACALCITOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D05AX04
UNII: C2W72OJ5ZU

Structure
InChI Key BJYLYJCXYAMOFT-RSFVBTMBSA-N
Smile C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O3
Molecular Weight 416.65
AlogP 5.56
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

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
7 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 4 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32176
ChEMBL CHEMBL2105611
DrugBank DB13689
DrugCentral 4727
FDA SRS C2W72OJ5ZU
Guide to Pharmacology 2780
PubChem 5283734
SureChEMBL SCHEMBL3945
ZINC ZINC000004474668
CONTENTS