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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25F3N4O
Molecular Weight 418.4561
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TP-3654

SMILES

CC(C)([C@@]1([H])CC[C@@]([H])(CC1)N=c2ccc3ncc(-c4cccc(c4)C(F)(F)F)n3[nH]2)O

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 418.4561
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 0 / 0
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 Fri Jun 25 23:58:20 UTC 2021
Edited
by admin
on Fri Jun 25 23:58:20 UTC 2021
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 Fri Jun 25 23:58:20 UTC 2021 , Edited by admin on Fri Jun 25 23:58:20 UTC 2021
PRIMARY
CAS
1361951-15-6
Created by admin on Fri Jun 25 23:58:20 UTC 2021 , Edited by admin on Fri Jun 25 23:58:20 UTC 2021
PRIMARY
Related Record Type Details
TARGET->WEAK INHIBITOR
IC50
OFF TARGET->NON-INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
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