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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32N6
Molecular Weight 440.5832
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AEE-788

SMILES

CCN1CCN(CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5)CC1

InChI

InChIKey=OONFNUWBHFSNBT-HXUWFJFHSA-N
InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H32N6
Molecular Weight 440.5832
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:58 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:58 UTC 2023
Record UNII
F9JLR95I3I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AEE-788
Common Name English
AEE788
Code English
AEE 788 [WHO-DD]
Common Name English
7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE, 6-(4-((4-ETHYL-1-PIPERAZINYL)METHYL)PHENYL)-N-((1R)-1-PHENYLETHYL)-
Systematic Name English
NVP-AEE-788
Code English
NVP-AEE788
Code English
GNF-PF-5343
Code English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
Code System Code Type Description
CHEBI
40629
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID90964400
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
DRUG BANK
DB12558
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
SMS_ID
300000041399
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
ChEMBL
CHEMBL587723
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
PUBCHEM
10297043
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
WIKIPEDIA
AEE788
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
NCI_THESAURUS
C48369
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
FDA UNII
F9JLR95I3I
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
CAS
497839-62-0
Created by admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY