Details of the Drug

General Information of Drug (ID: DMTF24A)

Drug Name
ASP-7035
Indication
Disease Entry ICD 11 Status REF
Nocturia MF55 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 548.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C25H23F7N2O4
IUPAC Name
(2Z)-N-(2-hydroxyethyl)-2-[4,4,7-trifluoro-1-[4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetamide
Canonical SMILES
C[C@H](COC1=CC(=C(C=C1)C(=O)N2CCC(/C(=C\\C(=O)NCCO)/C3=C2C=CC(=C3)F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C25H23F7N2O4/c1-14(26)13-38-16-3-4-17(20(11-16)25(30,31)32)23(37)34-8-6-24(28,29)19(12-22(36)33-7-9-35)18-10-15(27)2-5-21(18)34/h2-5,10-12,14,35H,6-9,13H2,1H3,(H,33,36)/b19-12-/t14-/m1/s1
InChIKey
VSXSHTIGQAUGMW-VCRXTVNUSA-N
Cross-matching ID
PubChem CID
11478371
CAS Number
790694-26-7
TTD ID
D01OXH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vasopressin V2 receptor (V2R) TTK8R02 V2R_HUMAN Agonist [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 800030285)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800030285)