LY-3509754

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27F5N8O4
Molecular Weight	586.5144
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)C2=CC3=NC(=CN3N=C2)[C@@H](NC(=O)C4=NON=C4C)C5CCC(F)(F)CC5

InChI

InChIKey=MVWVCLAORBNXSD-UWVAXJGDSA-N

InChI=1S/C24H27F5N8O4/c1-12-19(35-41-34-12)21(38)33-20(13-3-5-23(25,26)6-4-13)15-9-37-18(31-15)7-14(8-30-37)16(11-40-2)36-10-17(24(27,28)29)32-22(36)39/h7-9,13,16-17,20H,3-6,10-11H2,1-2H3,(H,32,39)(H,33,38)/t16-,17+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H27F5N8O4
Molecular Weight	586.5144
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:40:01 GMT 2025` Edited by `admin` on `Wed Apr 02 07:40:01 GMT 2025`
Record UNII	0994X4C98G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LY3509754

Preferred Name

English

LY-3509754

Code

English

1,2,5-Oxadiazole-3-carboxamide, N-[(S)-(4,4-difluorocyclohexyl)[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)-1-imidazolidinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-

Systematic Name

English

LY-3509754 (IL-17A SMALL MOLECULE INHIBITOR)

Common Name

English

Code System Code Type Description

PUBCHEM

154642729

Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025

PRIMARY

FDA UNII

0994X4C98G

Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025

PRIMARY

SMS_ID

300000025453

Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025

PRIMARY

CAS

2452464-73-0

Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025

PRIMARY

Related Record Type Details


					BQG94QJ69I

ABCC-4

TRANSPORTER -> INHIBITOR

Amount:


					R44E6C7B6J

INTERLEUKIN-17A

TARGET -> INHIBITOR

Comments:

In human keratinocytes

Interaction Type:

ASSAY (Functional)

Qualification:

IC50

Amount:


					R44E6C7B6J

INTERLEUKIN-17A

TARGET -> INHIBITOR

Comments:

Surface plasmon resonance showed extended dissociation half-life of 14.5?hours (association rate constant, 7.22?×?103?M?1?s?1; dissociation rate constant, 1.33?×?10?5?s?1.

Interaction Type:

BINDING

Qualification:

Kd

Amount:


					4AF605U6JN

MRP-2

TRANSPORTER -> INHIBITOR

Amount:


					1YV0492L5Z

MRP-3

TRANSPORTER -> INHIBITOR

Amount:


					8UKU4TR9DQ

IL17A/IL17F

TARGET -> INHIBITOR

Amount:


					WCI46BYD7T

BSEP

TRANSPORTER -> INHIBITOR

Amount:


					4CU0I38N9Z

LY-3509754 HEMIEDISYLATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					0994X4C98G

LY-3509754

ACTIVE MOIETY

Comments:

Participants experienced acute hepatitis related to LY3509754 in a clinical study further development was halted.

Amount: