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Details

Stereochemistry ACHIRAL
Molecular Formula C25H20N6O
Molecular Weight 420.4659
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IN-1130

SMILES

CC1=CC=CC(=N1)C2=C(N=C(CC3=CC(=CC=C3)C(N)=O)N2)C4=CC=C5N=CC=NC5=C4

InChI

InChIKey=RYKSGWSKILPDDY-UHFFFAOYSA-N
InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)

HIDE SMILES / InChI

Molecular Formula C25H20N6O
Molecular Weight 420.4659
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

IN-1130 as a potent small molecule inhibitor of TGF-β signaling pathway. IN-1130 is a highly selective small molecule ALK5 inhibitor with >100 fold selectivity over p38α and a panel of 26 other serine/threonine and tyrosine kinases. It is a suppressor of fibrogenic process of unilateral ureteral obstruction in rats underscoring the potential clinical benefits in the treatment of renal fibrosis. IN-1130 may potentially treat prostate cancer and breast cancer (preclinical investigation phase).

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
36.0 nM [IC50]
4.3 µM [IC50]
7.8 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
40 mg/kg in 100 ul saline 3 times per week for 3 weeks.
Route of Administration: Intraperitoneal
In Vitro Use Guide
The rate of IN-1130 disappearance catalysed by CYP2C8 was 223.4 pmol min-1 mg-1 protein, which was decreased by 63.5% in the presence of quercetin. Among nine human CYP supersomestrade mark examined, CYP3A4, CYP2C8, CYP2D6 1 and CYP2C19 were involved in the metabolism of IN-1130.
Substance Class Chemical
Record UNII
KW4O83PQ97
Record Status Validated (UNII)
Record Version