Details of the Drug

General Information of Drug (ID: DM02DNQ)

Drug Name

APC-366

Synonyms

APC-366; UNII-TGP1HP0WBC; TGP1HP0WBC; APC 366; 178925-65-0; apc366; N-(1-Hydroxy-2-naphthoyl)-L-arginyl-L-prolinamide hydrochloride; APC-366 hydrochloride; AC1L42OQ; SCHEMBL15659721; APC-366-C; APC-366-A; APC-366-R; L-Prolinamide, N2-((1-hydroxy-2-naphthalenyl)carbonyl)-L-arginyl-, monohydrochloride; (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxamide hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	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

477

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C22H29ClN6O4
IUPAC Name: (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxamide;hydrochloride
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N.Cl
InChI: InChI=1S/C22H28N6O4.ClH/c23-19(30)17-8-4-12-28(17)21(32)16(7-3-11-26-22(24)25)27-20(31)15-10-9-13-5-1-2-6-14(13)18(15)29;/h1-2,5-6,9-10,16-17,29H,3-4,7-8,11-12H2,(H2,23,30)(H,27,31)(H4,24,25,26);1H/t16-,17-;/m0./s1
InChIKey: IZLPTTJTHFFFJF-QJHJCNPRSA-N

Cross-matching ID

PubChem CID: 177339
CAS Number: 178925-65-0
TTD ID: D0N9WB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tryptase alpha/beta-1 (Tryptase)	TTM1TDX	TRYB1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification

12 Disease of the respiratory system

Disease Class

ICD-11: CA23 Asthma

The Studied Tissue

Nasal and bronchial airway

The Studied Disease

Asthma [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tryptase alpha/beta-1 (Tryptase)	DTT	TPSAB1	3.09E-07	1.07	0.89

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 800003595)
2	Inhibitors of tryptase for the treatment of mast cell-mediated diseases. Curr Pharm Des. 1998 Oct;4(5):381-96.