Details of the Drug

General Information of Drug (ID: DME8KQW)

Drug Name

AZD-5423

Synonyms

AZD-5423; 1034148-04-3; UNII-641H0Q518W; 641H0Q518W; 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide; 2,2,2-Tris(Fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-Fluorophenyl)indazol-5-Yl]oxy-1-(3-Methoxyphenyl)propan-2-Yl]ethanamide; Acetamide, 2,2,2-trifluoro-N-[(1S,2R)-2-[[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-(3-methoxyphenyl)-1-methylethyl]-;Acetamide, 2,2,2-trifluoro-N-[(1S,2R)-2-[[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-(3-methoxyphenyl)-1-methylethyl]-

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

487.4

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C25H21F4N3O3
IUPAC Name: 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
Canonical SMILES: C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F
InChI: InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
InChIKey: FCNQMDSJHADDFT-WNSKOXEYSA-N

Cross-matching ID

PubChem CID: 24825740
CAS Number: 1034148-04-3
DrugBank ID: DB12280
TTD ID: D09UFV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucocorticoid receptor (NR3C1)	TTYRL6O	GCR_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 800031497)
2	A nonsteroidal glucocorticoid receptor agonist inhibits allergen-induced late asthmatic responses. Am J Respir Crit Care Med. 2015 Jan 15;191(2):161-7.