Details of the Drug

General Information of Drug (ID: DMICDLV)

• Drug Name: Lorlatinib
• Synonyms: Loratinib; UNII-OSP71S83EU; Lorlatinib,PF-06463922; OSP71S83EU; lorlantinib; 4clj; 4cli; Lorlatinib [USAN:INN]; Lorlatinib (JAN/USAN/INN); PF06463922(Lorlatinib); GTPL7476; SCHEMBL15261807; EX-A828; MolPort-035-789-724; KS-00000T6C; 2641AH; ZINC98208524; s7536; MFCD28144520; BDBM50018830; AKOS027250753; DB12130; CS-39

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 406.4
  Topological Polar Surface Area (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H19FN6O2
  IUPAC 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
  Canonical SMILES: C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C
  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
  InChIKey: IIXWYSCJSQVBQM-LLVKDONJSA-N
• Cross-matching ID:
  PubChem CID: 71731823
  ChEBI ID: CHEBI:143117
  CAS Number: 1454846-35-5
  DrugBank ID: DB12130
  TTD ID: D0AF6O
  INTEDE ID: DR0980
  ACDINA ID: D01222

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ALK tyrosine kinase receptor (ALK)	TTPMQSO	ALK_HUMAN	Inhibitor	[1]
Proto-oncogene c-Ros (ROS1)	TTSZ6Y3	ROS1_HUMAN	Inhibitor	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[2]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[2]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[2]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[2]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[3]
UDP-glucuronosyltransferase 1A3 (UGT1A3)	DEF2WXN	UD13_HUMAN	Substrate	[2]
UDP-glucuronosyltransferase 1A4 (UGT1A4)	DELOY3P	UD14_HUMAN	Substrate	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Non-small-cell lung cancer
• ICD Disease Classification: 2C25.Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Proto-oncogene c-Ros (ROS1)	DTT	ROS1	1.45E-44	-1.01	-1.9
ALK tyrosine kinase receptor (ALK)	DTT	ALK	7.19E-15	0.18	0.61
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	5.28E-05	1.90E-02	1.09E-01
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	3.12E-38	-1.81E+00	-2.01E+00
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	1.08E-02	2.60E-02	1.59E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	5.59E-39	-3.76E-01	-1.64E+00

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Calcium hydrogenphosphate	E00294	24441	Diluent
Ferrosoferric oxide	E00231	14789	Colorant
Hypromellose	E00634	Not Available	Coating agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 3350	E00652	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent
Haematite red	E00236	14833	Colorant
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Lorlatinib 100 mg tablet	100 mg	Tablet	Oral
Lorlatinib 25 mg tablet	25 mg	Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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