Synonyms:
Status: Approved
Entry Type: Unknown
Molecule Category: Parent
ATC: H02AA02

Structure

InChI Key AAXVEMMRQDVLJB-BULBTXNYSA-N
Smile C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29FO5
Molecular Weight 380.46
AlogP 1.87
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Primary Target
Mineralocorticoid receptor

Indications

Mesh Heading Maximum Phase Reference
Depression Phase 1 ClinicalTrials
Hypersensitivity; Hypertension Phase 4 ClinicalTrials
Shock; Shock, Septic Phase 3 ClinicalTrials
Shock; Shock, Septic Phase 3 ClinicalTrials
Adrenal Hyperplasia, Congenital; Adrenocortical Hyperfunction; Adrenogenital Syndrome; Hyperplasia Phase 2 ClinicalTrials
Atrophy; Hypotension; Hypotension, Orthostatic; Multiple System Atrophy; Parkinson Disease; Shy-Drager Syndrome Phase 1 ClinicalTrials
Parkinson Disease Phase 2 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt