EcoDrugPlus


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

Synonyms

Matulane

Procarbacine

Procarbazine

RO-4-6467

RO-4-6467 FREE BASE

Status

Molecule Category

Free-form

ATC

L01XB01

UNII

35S93Y190K

EPA CompTox

DTXSID4021189


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)

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)

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

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

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

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015299

Guide to Pharmacology

KEGG

PharmGKB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PROCARBAZINE

Structure

Physicochemical Descriptors

Cross References