Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H27ClFN5O3 |
Molecular Weight | 560.018 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC#C\C(=N/OC[C@H]1COCCN1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4
InChI
InChIKey=IBCIAMOTBDGBJN-NRLRZRKLSA-N
InChI=1S/C30H27ClFN5O3/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36)/b37-27+/t24-/m1/s1
Molecular Formula | C30H27ClFN5O3 |
Molecular Weight | 560.018 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P00533|||Q9GZX1 Gene ID: 1956.0 Gene Symbol: EGFR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
1.48 nM [IC50] | ||
Target ID: P04626 Gene ID: 2064.0 Gene Symbol: ERBB2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
7.15 nM [IC50] | ||
Target ID: Q15303 Gene ID: 2066.0 Gene Symbol: ERBB4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
2.49 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:39:19 GMT 2023
by
admin
on
Sat Dec 16 16:39:19 GMT 2023
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Record UNII |
60OIK33ZQR
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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100000174629
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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PRIMARY | |||
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10333
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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60OIK33ZQR
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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PRIMARY | |||
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46701811
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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PRIMARY | |||
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1831116-77-8
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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C166884
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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PRIMARY | |||
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908305-13-5
Created by
admin on Sat Dec 16 16:39:19 GMT 2023 , Edited by admin on Sat Dec 16 16:39:19 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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