EcoDrugPlus


Synonyms	BAL 101553 BAL-101553 BAL101553 Bal101553 Lisavanbulin MICROTUBULE-TARGETED AGENT BAL101553 Microtubule-targeted agent bal101553
Status
Molecule Category	Free-form
UNII	5PT0QP06X5

Synonyms

BAL 101553

BAL-101553

BAL101553

Bal101553

Lisavanbulin

MICROTUBULE-TARGETED AGENT BAL101553

Microtubule-targeted agent bal101553

Status

Molecule Category

Free-form

UNII

5PT0QP06X5


InChI Key	NIPZLALJRAHABJ-IBGZPJMESA-N
Smiles	N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCN)cc1
InChI	InChI=1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1

InChI Key

NIPZLALJRAHABJ-IBGZPJMESA-N

Smiles

N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCN)cc1

InChI

InChI=1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1

Property Name	Value
Molecular Formula	C26H29N9O3
Molecular Weight	515.58
AlogP	2.69
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	190.77
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C26H29N9O3

Molecular Weight

515.58

AlogP

2.69

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

13.0

Polar Surface Area

190.77

Molecular species

BASE

Aromatic Rings

4.0

Heavy Atoms

38.0

Resources	Reference
ChEMBL	CHEMBL4297595
DrugBank	DB15224
FDA SRS	5PT0QP06X5
PubChem	45259014
SureChEMBL	SCHEMBL1160313

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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

LISAVANBULIN

Structure

Physicochemical Descriptors

Cross References