Details of the Drug

General Information of Drug (ID: DMC94D2)

Drug Name
U-104067F
Synonyms U-104067 (anhydrous free base); 9-[2-(4-Morpholinyl)ethyl]-2,4-bis(pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indole monohydrochloride hemihydrate
Indication
Disease Entry ICD 11 Status REF
Neurological disorder 6B60 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 457
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C24H33ClN6O
IUPAC Name
4-[2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)ethyl]morpholine;hydrochloride
Canonical SMILES
C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CCN5CCOCC5)N6CCCC6.Cl
InChI
InChI=1S/C24H32N6O.ClH/c1-2-8-20-19(7-1)21-22(28-9-3-4-10-28)25-24(29-11-5-6-12-29)26-23(21)30(20)14-13-27-15-17-31-18-16-27;/h1-2,7-8H,3-6,9-18H2;1H
InChIKey
OTTSSGXCAVAVKV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9890309
CAS Number
172035-75-5
TTD ID
D0R0OC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lipid peroxidation (LPO) TTV0YFR NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006788)
2 Two novel pyrrolopyrimidine lipid peroxidation inhibitors U-101033E and U-104067F protect facial motor neurons following neonatal axotomy. Exp Neurol. 1996 Oct;141(2):304-9.