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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25F3N4O
Molecular Weight 418.4553
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TP-3654

SMILES

CC(C)(O)[C@H]1CC[C@@H](CC1)NC2=NN3C(C=C2)=NC=C3C4=CC(=CC=C4)C(F)(F)F

InChI

InChIKey=XRNVABDYQLHODA-JCNLHEQBSA-N
InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-

HIDE SMILES / InChI

Molecular Formula C22H25F3N4O
Molecular Weight 418.4553
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
5.0 nM [Ki]
42.0 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:14 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:14 GMT 2023
Record UNII
EOB0N7BOY4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TP-3654
Code English
4-((3-(3-(TRIFLUOROMETHYL)PHENYL)IMIDAZO(1,2-B)PYRIDAZIN-6-YL)AMINO) -TRANS-CYCLOHEXYL)PROPAN-2-OL
Systematic Name English
2-(4-((3-(3-(TRIFLUOROMETHYL)PHENYL)IMIDAZO(1,2-B)PYRIDAZIN-6-YL)AMINO)CYCLOHEXYL)PROPAN-2-OL
Systematic Name English
SGI-9481
Code English
Code System Code Type Description
FDA UNII
EOB0N7BOY4
Created by admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
PRIMARY
NCI_THESAURUS
C160203
Created by admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
PRIMARY
CAS
1361951-15-6
Created by admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
PRIMARY
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TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY
Originator: Tolero Pharmaceuticals; Mechanism of Action: 1 Phosphatidylinositol 3 kinase inhibitor, Proto oncogene protein c pim 1 inhibito