Details of the Drug

General Information of Drug (ID: DMUZP9V)

Drug Name
Src kinase inhibitor I
Synonyms
Src Kinase Inhibitor I; 179248-59-0; Src I1; Src Inhibitor 1; Src I 1; Src Inhibitor-1; Src-l1; 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine; SKI-1; CHEMBL97771; CHEBI:78332; 6,7-dimethoxy-N-(4-phenoxyphenyl)-4-quinazolinamine; 4-Quinazolinamine, 6,7-dimethoxy-N-(4-phenoxyphenyl)-; 4-(4'-PHENOXYANILINO)-6,7-DIMETHOXYQUINAZOLINE; -Phenoxyanilino)-6,7-dimethoxyquinazoline; Src-I1; AC1LT1HN; Bionet1_003516; Oprea1_231056; GTPL6042; SCHEMBL1387206; KS-00002WRA; HMS578L18; CTK0E3319; AOB5689; DTXSID50363056
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.4
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H19N3O3
IUPAC Name
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
Canonical SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC
InChI
InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKey
DMWVGXGXHPOEPT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1474853
ChEBI ID
CHEMBL97771
CAS Number
179248-59-0
TTD ID
D0U2QT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
RIP2 messenger RNA (RIP2 mRNA) TTCQ2E5 RIPK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.