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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374699
CHEMBL374699
Compound Name
ChEMBL Synonyms 2'-Deoxycytidinemonophosphate
Max Phase 0
Trade Names
Molecular Formula C9H14N3O7P

Additional synonyms for CHEMBL374699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2
Standard InChI InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4 ...
Download InChI
Standard InChI Key NCMVOABPESMRCP-SHYZEUOFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL374699

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
307.2 307.0569 -1.7 4 164.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 4.26 -4.35 -8.61 0 20 0.44

Structural Alerts

There are 5 structural alerts for CHEMBL374699. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCMVOABPESMRCP-SHYZEUOFSA-N
Wikipedia Deoxycytidine_monophosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374699



ACToR 1032-65-1 25609-92-1
Brenda 113292 50471 72396 132818 102264 12501 450 90303 3444 4100 192319 18273 9630
ChEBI 15918
DrugBank DB03798
eMolecules 1971029 496958
FDA SRS W7A9174XQL
Human Metabolome Database HMDB01202
IBM Patent System BA0C0029863F8B994E10548EE45CDFBC
KEGG Ligand C00239
Metabolights MTBLC15918
MolPort MolPort-003-929-828
Nikkaji J14.407J
PDBe DCM DC
PubChem 13945
PubChem: Thomson Pharma 14776409
SureChEMBL SCHEMBL48317
ZINC ZINC000003861759

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NCMVOABPESMRCP-SHYZEUOFSA-N spacer
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