Details of the Drug

General Information of Drug (ID: DMHW1LI)

Drug Name
Iptakalim
Synonyms 2,3-Dimethyl-N-isopropyl-2-butanamine hydrochloride
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 143.27
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C9H21N
IUPAC Name
2,3-dimethyl-N-propan-2-ylbutan-2-amine
Canonical SMILES
CC(C)C(C)(C)NC(C)C
InChI
InChI=1S/C9H21N/c1-7(2)9(5,6)10-8(3)4/h7-8,10H,1-6H3
InChIKey
RGWFHCMKBAMWDX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10057607
CAS Number
07-44-1
TTD ID
D0S1BN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Opener [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Iptakalim: A novel multi-utility potassium channel opener. J Pharmacol Pharmacother. 2012 Jan;3(1):12-4.