EcoDrugPlus


Synonyms	GB-002 GB002 Gb002 PK-10571 Seralutinib
Status
Molecule Category	Free-form
UNII	3P63ZTE3OY

Synonyms

GB-002

GB002

Gb002

PK-10571

Seralutinib

Status

Molecule Category

Free-form

UNII

3P63ZTE3OY


InChI Key	JHJNPOSPVGRIAN-SFHVURJKSA-N
Smiles	COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC
InChI	InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1

InChI Key

JHJNPOSPVGRIAN-SFHVURJKSA-N

Smiles

COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC

InChI

InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1

Property Name	Value
Molecular Formula	C27H27N5O3
Molecular Weight	469.55
AlogP	5.29
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	98.26
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C27H27N5O3

Molecular Weight

469.55

AlogP

5.29

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

98.26

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

35.0

Resources	Reference
ChEMBL	CHEMBL4650333
FDA SRS	3P63ZTE3OY

Resources

Reference

ChEMBL

CHEMBL4650333

FDA SRS

3P63ZTE3OY

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

SERALUTINIB

Structure

Physicochemical Descriptors

Cross References