Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00137
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| Drug Name |
Nintedanib
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| Synonyms |
(Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate; 1160294-26-7; 656247-17-5; 928326-83-4; BIBF 1120; BIBF-1120; BIBF1120; CHEBI:85164; G6HRD2P839; Intedanib; Methyl (3z)-3-{[(4-{methyl[(4-Methylpiperazin-1-Yl)acetyl]amino}phenyl)amino](Phenyl)methylidene}-2-Oxo-2,3-Dihydro-1h-Indole-6-Carboxylate; Nintedanib (BIBF 1120); OFEV; UNII-G6HRD2P839; Vargatef
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| Drug Type |
Small molecular drug
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| Indication | Idiopathic pulmonary fibrosis [ICD11:CB03.4] | Approved | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C31H33N5O4
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| Canonical SMILES |
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
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| InChI |
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3
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| InChIKey |
CPMDPSXJELVGJG-UHFFFAOYSA-N
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| CAS Number |
CAS 656247-17-5
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| Pharmaceutical Properties | Molecular Weight | 539.6 | Topological Polar Surface Area | 102 | ||
| Heavy Atom Count | 40 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
4.3
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| PubChem CID | ||||||
| PubChem SID |
103654502
,109693020
,124343350
,124756932
,125163739
,126583666
,126724182
,131465103
,134964383
,135264167
,135267499
,136340157
,136920292
,139351111
,143498980
,144115708
,14836969
,152236441
,152258852
,152344119
,160647702
,162011437
,162037383
,162202550
,162205188
,164041723
,172232574
,174531531
,174561006
,177748905
,178102559
,180386833
,188899496
,198986794
,223388548
,223471427
,223685460
,223704774
,223896861
,226755113
,226755114
,24116377
,249738349
,249807126
,251963000
,44845702
,56435863
,76307381
,99431587
,99432362
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| ChEBI ID |
ChEBI:85164
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Nintedanib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Effects of Ketoconazole and Rifampicin on the Pharmacokinetics of Nintedanib in Healthy Subjects. Eur J Drug Metab Pharmacokinet. 2018 Oct;43(5):533-541. | |||||
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