Details of the Drug

General Information of Drug (ID: DMS3R15)

Drug Name
A-74283
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 458.6
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C29H34N2O3
IUPAC Name
(1S,7R)-4-[4-[(3aS,9bR)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Canonical SMILES
COC1=CC=CC2=C1[C@@H]3CN(C[C@H]3CC2)CCCCN4C(=O)C5[C@@H]6C=C[C@H](C5C4=O)C7C6C=C7
InChI
InChI=1S/C29H34N2O3/c1-34-24-6-4-5-17-7-8-18-15-30(16-23(18)25(17)24)13-2-3-14-31-28(32)26-21-11-12-22(27(26)29(31)33)20-10-9-19(20)21/h4-6,9-12,18-23,26-27H,2-3,7-8,13-16H2,1H3/t18-,19?,20?,21-,22+,23-,26?,27?/m1/s1
InChIKey
FIVMUTRIOVYDHZ-TZNWWNPGSA-N
Cross-matching ID
PubChem CID
9935515
TTD ID
D0R1DP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypertension
ICD Disease Classification BA00-BA04
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800002258)
2 Cardiovascular activity of A-74283, a 5-hydroxytryptamine 1A agent, in the spontaneously hypertensive rat. Pharmacology. 1998 Jan;56(1):17-29.