Nevirapine

Details

• Internal ID: 5f9d866b-c204-40c1-b8e4-d8e9386690e1
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Tertiary alkylarylamines > Alkyldiarylamines
• IUPAC Name: 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
• InChI: InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
• InChI Key: NQDJXKOVJZTUJA-UHFFFAOYSA-N
• Popularity: 9,594 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄N₄O
• Molecular Weight: 266.30 g/mol
• Exact Mass: 266.11676108 g/mol
• Topological Polar Surface Area (TPSA): 58.10 Ų
• XlogP: 2.00

Synonyms

• 129618-40-2
• Viramune
• BI-RG-587
• Nevirapine anhydrous
• Viramune XR
• BIRG 0587
• Nevirapine, anhydrous
• Nevirapine teva
• BIRG587
• BIRG-0587
• 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
• Nevirapina
• 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
• 99DK7FVK1H
• Nevirapinum anhydrous
• NSC-641530
• BIRG0587
• DTXSID7031797
• CHEBI:63613
• NSC641530
• 6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-
• DTXCID9010787
• 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
• BI RG 587
• nevirapinum
• 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo(9.4.0.0^(3,8))pentadeca-1(15),3,5,7,11,13-hexaen-10-one
• 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
• 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo(9.4.0.03,8)pentadeca-1(11),3,5,7,12,14-hexaen-10-one
• 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
• Hemihydrate, Nevirapine
• RefChem:853798
• J05AG01
• NEVIRAPINE TABLETS FOR ORAL SUSPENSION
• 603-345-0
• 4-amino-1-((2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl)pyrimidin-2-one
• NVP
• 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
• BI-RG 587
• MFCD00866928
• BIRG-587
• CHEMBL57
• 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
• 11-CYCLOPROPYL-4-METHYL-5H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6(11H)-ONE
• NEV
• MLS000084585
• NCGC00065890-02
• SMR000048458
• S1742
• 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
• Viramune(TM)
• Viramune (TN)
• CAS-129618-40-2
• HSDB 7164
• Nevirapine & CD4-IgG
• Nevirapine & PRO 140
• UNII-99DK7FVK1H
• NSC 641530
• Nevirapine (JAN/USP/INN)
• Nevirapine)
• 11-cyclopropyl-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one
• BIRG 587
• Nevirapine RS
• NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
• Viramune IR
• 1vrt
• 2hny
• Nevirapine [USAN:USP:INN:BAN]
• BI-RG-587 & CD4-IgG
• Nevirapine (Standard)
• Nevirapine (Viramune)
• NEVIRAPINE [MI]
• Opera_ID_934
• NEVIRAPINE [INN]
• NEVIRAPINE [JAN]
• NEVIRAPINE [HSDB]
• NEVIRAPINE [USAN]
• NEVIRAPINE [VANDF]
• Epitope ID:231711
• Nevirapine (anhydrous) CRS
• NEVIRAPINE [MART.]
• SCHEMBL3318
• NEVIRAPINE [WHO-DD]
• MLS000759409
• MLS001055309
• MLS001201730
• MLS001424058
• MLS006011423
• BIDD:GT0326
• NEVIRAPINE [EMA EPAR]
• BDBM1434
• orb1308075
• orb3141273
• NEVIRAPINE [ORANGE BOOK]
• SCHEMBL29393780
• SCHEMBL29614675
• SCHEMBL30267890
• GTPL12676
• NEVIRAPINE [EP MONOGRAPH]
• NEVIRAPINE [USP IMPURITY]
• HMS2051J09
• HMS2231O23
• HMS3264D21
• HMS3371E03
• HMS3393J09
• HMS3655I08
• HMS3715B10
• HMS5079D22
• NEVIRAPINE [USP MONOGRAPH]
• Pharmakon1600-01503842
• ALBB-027264
• BSB41895
• MSK10168
• Tox21 110982
• Tox21_110982
• Tox21_200770
• AC-643
• AC1280
• BBL010768
• EBC-11254
• HY-10570R
• NSC759902
• STK580320
• NEVIRAPINE ANHYDROUS [USP-RS]
• NEVIRAPINE ANHYDROUS [WHO-IP]
• AKOS005504351
• Nevirapine for peak identification CRS
• Tox21_110982_1
• AB07544
• CCG-100939
• DB00238
• KS-5019
• NC00189
• NN15304
• NSC-759902
• NCGC00065890-03
• NCGC00065890-04
• NCGC00065890-05
• NCGC00065890-07
• NCGC00065890-14
• NCGC00258324-01
• 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one & PRO 140 (Anti-CCR5 monoclonal antibody)
• HY-10570
• N11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e]-[1,4]diazepin-6-one & CD4-immunoadhesin
• Nevirapine 100 microg/mL in Acetonitrile
• SY009679
• BI-RG 587;NSC 641530;NVP
• DB-041930
• N0922
• NEVIRAPINUM ANHYDROUS [WHO-IP LATIN]
• NS00004959
• SW197569-2
• C07263
• D00435
• EN300-119500
• AB00393001-13
• AB00393001-15
• AB00393001_16
• AB00393001_17
• F358078
• Q263713
• BRD-K15502390-001-19-1
• BRD-K15502390-001-20-9
• F2173-0607
• Z1521553473
• Nevirapine (anhydrous), European Pharmacopoeia (EP) Reference Standard
• Nevirapine anhydrous, United States Pharmacopeia (USP) Reference Standard
• Nevirapine, Pharmaceutical Secondary Standard; Certified Reference Material
• 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido-[3,2-b:2',3'-e][1,4]diazepin-6-one
• 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b :2',3'-e][1,4 ]diazepin-6-one
• 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
• 6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-
• Nevirapine for peak identification, European Pharmacopoeia (EP) Reference Standard
• 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2 inverted exclamation mark ,3 inverted exclamation mark -e][1,4]diazepin-6-one
• 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0,3,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293235	P02545	Prelamin-A/C	35.5 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	97.01%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	94.77%	94.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.16%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.76%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.55%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.23%	93.40%
CHEMBL1951	P21397	Monoamine oxidase A	89.84%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.65%	99.23%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	89.59%	96.00%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	89.42%	96.47%
CHEMBL3524	P56524	Histone deacetylase 4	88.11%	92.97%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	87.34%	96.67%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.41%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.74%	97.25%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.48%	94.00%
CHEMBL2535	P11166	Glucose transporter	84.44%	98.75%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	83.75%	96.39%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	83.70%	95.34%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.30%	89.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.14%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.95%	86.33%
CHEMBL3920	Q04759	Protein kinase C theta	82.76%	97.69%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	82.58%	94.42%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.45%	93.03%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.63%	93.99%
CHEMBL3038469	P24941	CDK2/Cyclin A	80.74%	91.38%
CHEMBL3310	Q96DB2	Histone deacetylase 11	80.58%	88.56%

Plants that contains it

• Cleome viscosa

Cross-Links

• PubChem: 4463
• LOTUS: LTS0077620
• wikiData: Q263713