EcoDrugPlus


Synonyms	AKST-4290 AKST4290 ALK-429 ALK-4290 ALK429 ALK4290 Akst4290 Alk-4290 Alk4290 BI144807 Lazucirnon
Status
Molecule Category	Free-form
UNII	R0T9LLR4TN

Synonyms

AKST-4290

AKST4290

ALK-429

ALK-4290

ALK429

ALK4290

Akst4290

Alk-4290

Alk4290

BI144807

Lazucirnon

Status

Molecule Category

Free-form

UNII

R0T9LLR4TN


InChI Key	DWKNOLCXIFYNFV-HSZRJFAPSA-N
Smiles	Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChI	InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1

InChI Key

DWKNOLCXIFYNFV-HSZRJFAPSA-N

Smiles

Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1

InChI

InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1

Property Name	Value
Molecular Formula	C27H34ClN5O3
Molecular Weight	512.05
AlogP	3.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	85.85
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C27H34ClN5O3

Molecular Weight

512.05

AlogP

3.65

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

85.85

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

36.0

Resources	Reference
ChEMBL	CHEMBL3670800
DrugBank	DB15269
FDA SRS	R0T9LLR4TN
Guide to Pharmacology	10653
PubChem	59534386
SureChEMBL	SCHEMBL1668125
ZINC	ZINC000068247095

Resources

Reference

ChEMBL

CHEMBL3670800

DrugBank

DB15269

FDA SRS

R0T9LLR4TN

Guide to Pharmacology

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

LAZUCIRNON

Structure

Physicochemical Descriptors

Cross References