CLASCOTERONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O5
Molecular Weight	402.5238
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CLASCOTERONE

Structure Search

SMILES

[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=GPNHMOZDMYNCPO-PDUMRIMRSA-N

InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O5
Molecular Weight	402.5238
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:24:48 UTC 2023` Edited by `admin` on `Sat Dec 16 16:24:48 UTC 2023`
Record UNII	XN7MM8XG2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLASCOTERONE

Official Name

English

Clascoterone [WHO-DD]

Common Name

English

PREGN-4-ENE-3,20-DIONE, 17,21-DIHYDROXY-, 17-PROPIONATE

Systematic Name

English

CLASCOTERONE [USAN]

Common Name

English

WINLEVI

Brand Name

English

CLASCOTERONE [MI]

Common Name

English

clascoterone [INN]

Common Name

English

21-Hydroxy-3,20-dioxopregn-4-en-17-yl propanoate

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 21-HYDROXY-17-(1-OXOPROPOXY)-

Systematic Name

English

CORTODOXONE 17.ALPHA.-PROPIONATE

Common Name

English

CORTEXOLONE 17.ALPHA.-PROPIONATE

Common Name

English

CLASCOTERONE [ORANGE BOOK]

Common Name

English

BREEZULA

Brand Name

English

CB-03-01

Code

English

Code System Code Type Description

ChEMBL

CHEMBL3545016

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

CAS

19608-29-8

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

DAILYMED

XN7MM8XG2M

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

NCI_THESAURUS

C169855

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

FDA UNII

XN7MM8XG2M

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

WIKIPEDIA

Clascoterone

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

USAN

EF-84

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

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PUBCHEM

11750009

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

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EPA CompTox

DTXSID10471883

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

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MERCK INDEX

m12233

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

INN

10891

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

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RXCUI

2474340

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

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SMS_ID

300000005912

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

DRUG BANK

DB12499

Created by admin on Sat Dec 16 16:24:49 UTC 2023 , Edited by admin on Sat Dec 16 16:24:49 UTC 2023

PRIMARY

Related Record Type Details


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Comments:

clascoterone cream, 1%, has no clinically meaningful effect on the PK of drugs metabolized by CYP 1A2, 2B6, 2C8, 2C9, 2C19, 2D6, 2E1 or 3A4.


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Plasma protein binding of clascoterone is independent of concentrations, in vitro.

Interaction Type:

BINDING

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Comments:

clascoterone cream, 1%, has no clinically meaningful effect on the PK of drugs metabolized by CYP 1A2, 2B6, 2C8, 2C9, 2C19, 2D6, 2E1 or 3A4.

Qualification:

IC50

Amount:


					EJC4C3UYXH

ANDROGEN RECEPTOR

TARGET -> INHIBITOR


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Comments:

clascoterone cream, 1%, has no clinically meaningful effect on the PK of drugs metabolized by CYP 1A2, 2B6, 2C8, 2C9, 2C19, 2D6, 2E1 or 3A4.

Related Record Type Details


					XN7MM8XG2M

ACTIVE MOIETY