Details of the Drug

General Information of Drug (ID: DM58J7E)

Drug Name
Tedalinab
Synonyms
Tedalinab; UNII-5R7X34Y6Q1; 916591-01-0; CHEMBL3234681; 5R7X34Y6Q1; Tedalinab [INN]; SCHEMBL1431320; ZINC72266313; GRC-10693; BDBM50005917; (4S,7R)-N-tert-butyl-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-4,7-methanoindazole-3-carboxamide; KB-80825; 4,7-Methano-1H-indazole-3-carboxamide, 1-(2,4-difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, (4S,7R)-
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 345.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H21F2N3O
IUPAC Name
(1R,7S)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
Canonical SMILES
CC(C)(C)NC(=O)C1=NN(C2=C1[C@H]3CC[C@@H]2C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1
InChIKey
NTPZXHMTJGOMCJ-WDEREUQCSA-N
Cross-matching ID
PubChem CID
67029278
ChEBI ID
CHEMBL3234681
CAS Number
916591-01-0
TTD ID
D0Q8WG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_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 Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
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 800024918)
2 Cannabinoid CB2 receptor (CNR2). SciBX 3(46); doi:10.1038/scibx.2010.1384. Dec. 2 2010