imatinib - PubChem Public Chemical Database

imatinib - Compound Summary (CID: 5291)

inhibits Bcr-Abl protein-tyrosine kinase; structure in first source

Table of Contents

Drug and Chemical Information

Medication Information

Pharmacological Action

Pharmacological Classification

Safety and Toxicology

Substance Information

Category

Exports

Drug and Chemical Information: (Total:1)

imatinib

Medication Information

Gleevec - Tablets [Novartis Pharmaceuticals Corporation]

Imatinib is a small molecule kinase inhibitor.Gleevec film-coated tablets contain imatinib mesylate equivalent to 100mg or 400 mg of imatinib free base. Imatinib mesylate is designated chemically as

Description	Clinical Pharmacology	Indication & Usage
Contraindications	Adverse Reactions	Overdosage
Dosage & Administration	How Supplied	Patient Counseling Information

Pharmacological Action

Antineoplastic Agents - Substances that inhibit or prevent the proliferation of NEOPLASMS.

Protein Kinase Inhibitors - Agents that inhibit PROTEIN KINASES.

Pharmacological Classification

Chemical Actions and Uses

Pharmacologic Actions

Molecular Mechanisms of Pharmacological Action

Enzyme Inhibitors

Protein Kinase Inhibitors

Therapeutic Uses

Antineoplastic Agents

Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

TOXLINE - Citations to the toxicological literature

ClinicalTrials.gov - Registry of federal and private clinical trials

Literature

Literature Keyword Mining Tool

BioActivity Results:

Tested in BioAssays: All: 13 Inactive: 11
BioActivity Summary: This Compound

with Similar Compounds

AID: 1479 Source: NCGC
Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2

AID: 1477 Source: NCGC
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia

AID: 1469 Source: NCGC
qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2

AID: 1468 Source: NCGC
qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization

more ...

Properties Computed from Structure:

Molecular Weight	493.60274 [g/mol]
Molecular Formula	C₂₉H₃₁N₇O
H-Bond Donor	2
H-Bond Acceptor	7
Rotatable Bond Count	7
Tautomer Count	6
Exact Mass	493.259009
MonoIsotopic Mass	493.259009
Topological Polar Surface Area	86.3
Heavy Atom Count	37
Formal Charge	0
Complexity	706
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-
ylpyrimidin-2-yl)amino]phenyl]benzamide
Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Compound Information:

CID: 5291

Create Date: 2005-03-25

Related Compounds:

Same, Connectivity: 3 Links

Similar Compounds: 480 Links