MITOMYCIN A

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Synonyms
Status
Molecule Category Free-form
UNII 87TMG6FJHV

Structure

InChI Key HYFMSAFINFJTFH-NGSRAFSJSA-N
Smiles COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21
InChI
InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O6
Molecular Weight 349.34
AlogP -0.96
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 130.1
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.052-2.4 - - -
Mus musculus
- 0.24-2.3 - - -

Related Entries

Cross References

Resources Reference
ChEBI 85412
ChEMBL CHEMBL298359
FDA SRS 87TMG6FJHV
PDB MQA
PubChem 19972
SureChEMBL SCHEMBL13033872
ZINC ZINC000038144766
CONTENTS