U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H19N5.2ClH
Molecular Weight 294.224
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-39758979 DIHYDROCHLORIDE

SMILES

Cl.Cl.CC(C)C1=CC(=NC(N)=N1)N2CC[C@@H](N)C2

InChI

InChIKey=KXPWYAVIFCXPRW-YCBDHFTFSA-N
InChI=1S/C11H19N5.2ClH/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16;;/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15);2*1H/t8-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H19N5
Molecular Weight 221.3021
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

JNJ-39758979 is a histamine H4 receptor antagonist which clinical development for asthma and atopic dermatitis was halted during phase II because of the observation of idiosyncratic drug-induced agranulocytosis in two subjects.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
12.5 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:50 UTC 2023
Edited
by admin
on Sat Dec 16 18:42:50 UTC 2023
Record UNII
W00RQD3LO2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-39758979 DIHYDROCHLORIDE
Code English
2-PYRIMIDINAMINE, 4-((3R)-3-AMINO-1-PYRROLIDINYL)-6-(1-METHYLETHYL)-, DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
W00RQD3LO2
Created by admin on Sat Dec 16 18:42:50 UTC 2023 , Edited by admin on Sat Dec 16 18:42:50 UTC 2023
PRIMARY
CAS
1620648-30-7
Created by admin on Sat Dec 16 18:42:50 UTC 2023 , Edited by admin on Sat Dec 16 18:42:50 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
129628806
Created by admin on Sat Dec 16 18:42:50 UTC 2023 , Edited by admin on Sat Dec 16 18:42:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY