Details of the Drug

General Information of Drug (ID: DMS8Q7A)

Drug Name

Ontazolast

Synonyms

Ontazolast; UNII-8P8TW6B25I; BIRM-270; 147432-77-7; 8P8TW6B25I; N-[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine; Ontazolast [USAN:INN]; AC1Q4WID; Ontazolast (USAN/INN); SCHEMBL75875; AC1L2G78; CHEMBL2104845; 2-(((S)-2-Cyclohexyl-1-(2-pyridyl)ethyl)amino)-5-methylbenzoxazole; n-[(1s)-2-cyclohexyl-1-(2-pyridinyl)ethyl]-5-methyl-2-benzoxazolamine; D02847; 32254-EP2311827A1; 32254-EP2301933A1; 32254-EP2281815A1; 32254-EP2305640A2; 2-Benzoxazolamine, N-(2-cyclohexyl-1-(2-pyridinyl)ethyl)-5-methyl-, (S)-

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

335.4

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H25N3O
IUPAC Name: N-[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)N[C@@H](CC3CCCCC3)C4=CC=CC=N4
InChI: InChI=1S/C21H25N3O/c1-15-10-11-20-19(13-15)24-21(25-20)23-18(17-9-5-6-12-22-17)14-16-7-3-2-4-8-16/h5-6,9-13,16,18H,2-4,7-8,14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKey: RVXKHAITGKBBAC-SFHVURJKSA-N

Cross-matching ID

PubChem CID: 71458
CAS Number: 147432-77-7
TTD ID: D08ZKJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene receptor (LTR)	TTTWGIX	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A phase II/pharmacokinetic trial of high-dose progesterone in combination with paclitaxel. Cancer Chemother Pharmacol. 1999;44(3):259-65.
2	Effects of progesterone and leukotriene receptor antagonists in experimental models of P-glycoprotein-related resistance. Eur J Med Res. 1997 Apr 21;2(4):159-64.