EcoDrugPlus


Synonyms	CYT-387 DIHYDROCHLORIDE CYT387 CYT387 DIHYDROCHLORIDE Momelotinib dihydrochloride
Status
Molecule Category	Salt-form
UNII	RBH995N496
EPA CompTox	DTXSID00160456

Synonyms

CYT-387 DIHYDROCHLORIDE

CYT387

CYT387 DIHYDROCHLORIDE

Momelotinib dihydrochloride

Status

Molecule Category

Salt-form

UNII

RBH995N496

EPA CompTox

DTXSID00160456


InChI Key	IPNATXQRPWRHKD-UHFFFAOYSA-N
Smiles	Cl.Cl.N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChI	InChI=1S/C23H22N6O2.2ClH/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;;/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*1H

InChI Key

IPNATXQRPWRHKD-UHFFFAOYSA-N

Smiles

Cl.Cl.N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

InChI

InChI=1S/C23H22N6O2.2ClH/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;;/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*1H

Property Name	Value
Molecular Formula	C23H24Cl2N6O2
Molecular Weight	487.39
AlogP	2.98
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	103.17
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C23H24Cl2N6O2

Molecular Weight

487.39

AlogP

2.98

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

103.17

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	1380317-28-1
ChEMBL	CHEMBL2219411
FDA SRS	RBH995N496
PubChem	57345482
SureChEMBL	SCHEMBL2863013

Resources

Reference

CAS NUMBER

ChEMBL

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, 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, 27^th July 2026

MOMELOTINIB DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References