seliciclib
CHEBI:45307
·resolve ·ANTIVIRAL
·EXACT
SEEDED
2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. — 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 | C19H26N6O |
|---|
| Charge | 0 |
|---|
| Average mass | 354.458 Da |
|---|
| Monoisotopic mass | 354.21681 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
|---|
SMILES
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
Also called
- (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol (EXACT_SYNONYM)— chebi
- (2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol (EXACT_SYNONYM)— chebi
- (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol (EXACT_SYNONYM)— chebi
- (R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol (EXACT_SYNONYM)— chebi
- 2-(R)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine (EXACT_SYNONYM)— chebi
- CYC202 (EXACT_SYNONYM)— chebi
- R-ROSCOVITINE (EXACT_SYNONYM)— chebi
- R-Roscovitine (EXACT_SYNONYM)— chebi
- Roscovitine (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:186692-46-6
- lincs.smallmolecule:LSM-1001
- pdb-ccd:RRC
- reaxys:7694281
- wikipedia.en:Seliciclib
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:45307 |
seliciclib |
antibioticmech:chebi-c52780b8ba |
2026-08-30 |
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
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.