General Information of the Compound
| Compound ID |
CP0129766
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| Compound Name |
(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
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| Synonyms |
2641AH
4cli
4clj
AKOS027250753
BDBM50018830
CS-39
DB12130
EX-A828
GTPL7476
KS-00000T6C
Loratinib
Lorlatinib
Lorlatinib (JAN/USAN/INN)
Lorlatinib [USAN:INN]
Lorlatinib,PF-06463922
MFCD28144520
MolPort-035-789-724
OSP71S83EU
PF-06463922
PF06463922(Lorlatinib)
PMID28270010-Compound-Figure21-b
SCHEMBL15261807
SCHEMBL15274056
UNII-OSP71S83EU
ZINC98208524
lorlantinib
s7536
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| Structure |
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| Formula |
C21H19FN6O2
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| Molecular Weight |
406.421
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| Canonical SMILES |
C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
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| InChI |
InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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| InChIKey |
IIXWYSCJSQVBQM-LLVKDONJSA-N
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| CAS |
1454846-35-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01203, ALK tyrosine kinase receptor
Cell-based Assay
Clinical Information about the Compound
Drug 1 ( PF-06463922 )
| Drug Name | PF-06463922 | ||
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| Company | Pfizer | ||
| Indication | |||
| Target(s) | |||
Drug 2 ( Lorlatinib )
| Drug Name | Lorlatinib | ||
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| Company | Pfizer | ||
| Indication | |||
| Target(s) | |||