NINTEDANIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EX09
UNII G6HRD2P839

Structure

InChI Key XZXHXSATPCNXJR-ZIADKAODSA-N
Smiles COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
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/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H33N5O4
Molecular Weight 539.64
AlogP 3.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- - 17 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 380-420 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKG family
- - 14 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 740 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 200-620 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 58-230 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - 190 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO1 subfamily
- - 23 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO3 subfamily
- - 36 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - 84-87 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - 290 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase LKB subfamily
- - 18 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 770 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- 43 4.9 5.6 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 21-160 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 280-670 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- 43 21-160 5.6 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - 110-670 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DCAMK1 family
- - 540-770 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 110-440 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PHk family
- - 140-260 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 640-990 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 200-620 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 58-230 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 230 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - 300 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PCTAIRE
- - 93-510 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PFTAIRE
- - 470 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 21 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 8.8-760 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - 790-850 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - 83-430 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 270-630 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - 12-37 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - 12-37 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 190-420 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CAMKK family Other protein kinase Meta subfamily
- - 630-920 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 890 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 150 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 2.2-63 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NKF1 family
- - 110 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NKF4 family
- - 810 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 53 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 22 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 60-380 - -
Enzyme Kinase Protein Kinase Other protein kinase group
- - 2.2-63 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - 9.4-34 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 9.4-34 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase FRAY subfamily
- - 520 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 35-390 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 53-150 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 9-38 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - 210 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 51-87 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase YSK subfamily
- - 49-110 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 1.8-42 - -
Enzyme Kinase Protein Kinase STE protein kinase group
- - 35-390 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 10-640 - 96
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - 210 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - 150 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - 8.5-12 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 12-42 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 550-940 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 37-610 92-350 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- - 81-210 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - 73 - 90
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - 21-62 - 83
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 4.8-500 - 89
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 4.8-500 - 89
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - 200-460 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - 590 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1.8-85 0.42-310 - 97-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 9.6-31 - 100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 16-195 6.2-940 - 84-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 210-860 - 85-96
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 4.5-32 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 3-104 2.9-95 - 99.2
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 120-810 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - 37-46 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase LZK subfamily
- - 140 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 220-700 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 4.1 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 240-440 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 31 - 92
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 56 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - 600 - -
Enzyme Kinase Protein Kinase
- 3-104 0.42-310 5.6 84-100
Enzyme Kinase
- 3-104 0.42-310 5.6 84-100
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2.6 - - -
Membrane receptor
- - 140 - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
276 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
79 - - - -
Homo sapiens
7-290 1.8-830 3.8-700 5.6 83-100
Mus musculus
- 13-85 - - -
Rattus norvegicus
- - - - 95.47-95.47

Cross References

Resources Reference
ChEBI 85164
ChEMBL CHEMBL502835
DrugBank DB09079
DrugCentral 4903
FDA SRS G6HRD2P839
Guide to Pharmacology 5936
PDB XIN
PubChem 9809715
SureChEMBL SCHEMBL431006
ZINC ZINC000100014909
CONTENTS