dasatinib (anhydrous)
CHEBI:49375
·resolve ·ANTIVIRAL
·EXACT
SEEDED
An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C22H26ClN7O2S |
|---|
| Charge | 0 |
|---|
| Average mass | 488.017 Da |
|---|
| Monoisotopic mass | 487.15572 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | ZBNZXTGUTAYRHI-UHFFFAOYSA-N |
|---|
SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
InChI
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
Also called
- dasatinib (INN)— chebi
- dasatinibum (INN)— chebi
- N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide (EXACT_SYNONYM)— chebi
- BMS Dasatinib (EXACT_SYNONYM)— chebi
- BMS-354825 (EXACT_SYNONYM)— chebi
- N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE (EXACT_SYNONYM)— chebi
- anh. dasatinib (EXACT_SYNONYM)— chebi
- anhydrous dasatinib (EXACT_SYNONYM)— chebi
- dasatinib (anh.) (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:302962-49-8
- drugbank:DB01254
- drugcentral:785
- hmdb:HMDB0015384
- kegg.drug:D03658
- lincs.smallmolecule:LSM-1020
- patent:US7125875
- patent:US7941725
- patent:WO2010067374
- patent:WO2010139979
- pdb-ccd:1N1
- reaxys:9966762
- wikipedia.en:Dasatinib
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:49375 |
dasatinib (anhydrous) |
antibioticmech:chebi-df5a27361e |
2026-08-30 |
Molecular targets
The molecular entity or process this compound acts on. Each target
carries evidence — this is a mechanistic claim, not a classification.
Orf1a protein VIRAL_PROTEIN MEASURED_TARGET_ASSOCIATION
BindingDB quantitative measurement in the named target organism; source assay descriptions and identifiers are retained per measurement. Evidence status: PRIMARY_EVIDENCE. Source: BINDINGDB 2026-09 (retrieved 2026-08-31).
Middle East respiratory syndrome-related coronavirus NCBITaxon:1335626
Quantitative measurements
| Type | Reported value | Assay | BindingDB IDs | Reference |
|---|
| EC50 |
14 nM |
No assay is provided
This is a review article. |
RSID 869024
assay 8918_1
monomer 13216 |
PMID:32852058 |
Organism-specific examples
| Protein | Gene | Organism | Entry |
|---|
Orf1a protein UniProtKB:A0A1L2E0X0 |
— |
Middle East respiratory syndrome-related coronavirus |
UNREVIEWED |
- PMID:32852058 (BindingDB literature-curated quantitative target measurement; source value, assay text, reaction-set ID, and target organism retained.)
Replicase polyprotein 1ab VIRAL_PROTEIN MEASURED_TARGET_ASSOCIATION
BindingDB quantitative measurement in the named target organism; source assay descriptions and identifiers are retained per measurement. Evidence status: PRIMARY_EVIDENCE. Source: BINDINGDB 2026-09 (retrieved 2026-08-31).
Severe acute respiratory syndrome coronavirus NCBITaxon:2901879
Quantitative measurements
| Type | Reported value | Assay | BindingDB IDs | Reference |
|---|
| EC50 |
51 nM |
No assay is provided
This is a review article. |
RSID 869025
assay 8918_1
monomer 13216 |
PMID:32852058 |
Organism-specific examples
| Protein | Gene | Organism | Entry |
|---|
Replicase polyprotein 1ab UniProtKB:P0C6X7 |
— |
Severe acute respiratory syndrome coronavirus |
REVIEWED |
- PMID:32852058 (BindingDB literature-curated quantitative target measurement; source value, assay text, reaction-set ID, and target organism retained.)
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.