EcoDrugPlus


Synonyms	596-26 ARO-002-26 CP-868 CP-868,596-26 CP-868596-26 Crenolanib besilate Crenolanib besylate
Status
Molecule Category	Salt-form
UNII	MC4B01024K
Parent Compound:	CRENOLANIB

Synonyms

596-26

ARO-002-26

CP-868

CP-868,596-26

CP-868596-26

Crenolanib besilate

Crenolanib besylate

Status

Molecule Category

Salt-form

UNII

MC4B01024K

Parent Compound:

CRENOLANIB


InChI Key	ARQUTWAXTHJROR-UHFFFAOYSA-N
Smiles	CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1.O=S(=O)(O)c1ccccc1
InChI	InChI=1S/C26H29N5O2.C6H6O3S/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30;7-10(8,9)6-4-2-1-3-5-6/h2-8,13,17,19H,9-12,14-16,27H2,1H3;1-5H,(H,7,8,9)

InChI Key

ARQUTWAXTHJROR-UHFFFAOYSA-N

Smiles

CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1.O=S(=O)(O)c1ccccc1

InChI

InChI=1S/C26H29N5O2.C6H6O3S/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30;7-10(8,9)6-4-2-1-3-5-6/h2-8,13,17,19H,9-12,14-16,27H2,1H3;1-5H,(H,7,8,9)

Property Name	Value
Molecular Formula	C32H35N5O5S
Molecular Weight	601.73
AlogP	3.92
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	78.43
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C32H35N5O5S

Molecular Weight

601.73

AlogP

3.92

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

78.43

Molecular species

BASE

Aromatic Rings

4.0

Heavy Atoms

33.0

Resources	Reference
ChEMBL	CHEMBL2146086
FDA SRS	MC4B01024K
PubChem	18435899
SureChEMBL	SCHEMBL4681285

Resources

Reference

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

CRENOLANIB BESYLATE

Structure

Physicochemical Descriptors

Cross References