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
CAS Number: 916591-01-0
TTD ID: D0Q8WG

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)

MIA Detail

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)

MEA Detail

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