Details of the Drug

General Information of Drug (ID: DM7I6VO)

Drug Name
SC-241
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 463.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H27BrN6O2
IUPAC Name
3-(2-bromo-4-propan-2-ylphenyl)-N,N-bis(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Canonical SMILES
CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=NN2C3=C(C=C(C=C3)C(C)C)Br
InChI
InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
InChIKey
DMJNPPHUVMMIEQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9934089
ChEBI ID
CHEMBL10504
TTD ID
D07NWC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticotropin-releasing factor receptor 2 (CRHR2) TTIY658 CRFR2_HUMAN 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 800008644)
2 US patent application no. 2015,0094,310, Crhr1 antagonists for use in the treatment of patients having crh overactivity.