PROCARBAZINE


Synonyms	Matulane Procarbacine Procarbazine RO-4-6467 RO-4-6467 FREE BASE
Status
Molecule Category	Free-form
ATC	L01XB01
UNII	35S93Y190K
EPA CompTox	DTXSID4021189


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	CPTBDICYNRMXFX-UHFFFAOYSA-N
Smiles	CNNCc1ccc(C(=O)NC(C)C)cc1
InChI	InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H19N3O
Molecular Weight	221.3
AlogP	1.05
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	53.16
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Cross References

Resources	Reference
ChEBI	71417
ChEMBL	CHEMBL1321
DrugBank	DB01168
DrugCentral	2272
FDA SRS	35S93Y190K
Human Metabolome Database	HMDB0015299
Guide to Pharmacology	7278
KEGG	C07402
PharmGKB	PA451112
PubChem	4915
SureChEMBL	SCHEMBL4656
ZINC	ZINC000019166988

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).