NERATINIB MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9RM7XY23ZS

Structure
InChI Key VXZCUHNJXSIJIM-MEBGWEOYSA-N
Smile CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C30H29ClN6O3.C4H4O4/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H33ClN6O7
Molecular Weight 673.13
AlogP 5.93
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 112.4
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor FDA PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 4 D001943 FDA

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
25.06
General disorders and administration site conditions
13.91
Injury, poisoning and procedural complications
8.27
Nervous system disorders
8.15
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
5.39
Investigations
5.26
Surgical and medical procedures
4.64
Respiratory, thoracic and mediastinal disorders
4.39
Metabolism and nutrition disorders
4.14
Vascular disorders
3.13
Cardiac disorders
2.88
Infections and infestations
2.88
Skin and subcutaneous tissue disorders
2.51
Psychiatric disorders
2.13

Cross References

Resources Reference
ChEMBL CHEMBL3989921
FDA SRS 9RM7XY23ZS
PubChem 67307512
SureChEMBL SCHEMBL2180998
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