EcoDrugPlus


Synonyms	GX15-070 Obatoclax
Status
Molecule Category	Free-form
UNII	QN4128B52A
EPA CompTox	DTXSID701029688

Synonyms

GX15-070

Obatoclax

Status

Molecule Category

Free-form

UNII

QN4128B52A

EPA CompTox

DTXSID701029688


InChI Key	RFTSSZJZXOSICM-GRSHGNNSSA-N
Smiles	COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C
InChI	InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-

InChI Key

RFTSSZJZXOSICM-GRSHGNNSSA-N

Smiles

COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C

InChI

InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-

Property Name	Value
Molecular Formula	C20H19N3O
Molecular Weight	317.39
AlogP	4.49
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	53.17
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H19N3O

Molecular Weight

317.39

AlogP

4.49

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

53.17

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family	300-900	-	-	-	-
Other cytosolic protein	500	-	-	-	-
Unclassified protein	600	-	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family

300-900

Other cytosolic protein

500

Unclassified protein

600

Resources	Reference
CAS NUMBER	803712-67-6
ChEMBL	CHEMBL408194
DrugBank	DB12191
FDA SRS	QN4128B52A
Guide to Pharmacology	11086
SureChEMBL	SCHEMBL631676
ZINC	ZINC000029052268

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

11086

SureChEMBL

SCHEMBL631676

ZINC

ZINC000029052268

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

OBATOCLAX

Structure

Physicochemical Descriptors

Pharmacology

Cross References